!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!! !!! !!! !!! !!! Experimental and modeling study of the pyrolysis and combustion of dimethoxymethane !!! !!! !!! !!! Florence H. Vermeire, Hans-Heinrich Carstensen, Olivier Herbinet, !!! !!! Frédérique Battin-Leclerc, Guy B. Marin, Kevin M. Van Geem !!! !!! !!! !!! e-mail: kevin.vangeem@ugent.be !!! !!! !!! !!! !!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ELEMENTS H O AR C HE N END SPECIES HCOH !! InChI=1S/CH2O/c1-2/h1-2H CH2(S) !! InChI=1S/CH2/h1H2_singlet C2H6 !! InChI=1S/C2H6/c1-2/h1-2H3 C2H2 !! InChI=1S/C2H2/c1-2/h1-2H C2H2OH !! InChI=1S/C2H3O/c1-2-3/h1-3H HO2CH2CO !! InChI=1S/C2H3O3/c3-1-2-5-4/h4H,2H2 CH3CO3H !! InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3 C2H5O !! InChI=1S/3C2H5O/c3*1-2-3/h2H2,1H3;2-3H,1H3;3H,1-2H2 C2H5O2H !! InChI=1S/C2H6O2/c1-2-4-3/h3H,2H2,1H3 C2H3O1-2 !! InChI=1S/C2H3O/c1-2-3-1/h1H,2H2 C3KET21 !! InChI=1S/C3H6O3/c1-3(4)2-6-5/h5H,2H2,1H3 C2H5CO !! InChI=1S/C3H5O/c1-2-3-4/h2H2,1H3 IC3H7 !! InChI=1S/C3H7/c1-3-2/h3H,1-2H3 C3H5-S !! InChI=1S/C3H5/c1-3-2/h1,3H,2H3 C3H3 !! InChI=1S/C3H3/c1-3-2/h1H,2H2 C3H6OOH2-1 !! InChI=1S/C3H7O2/c1-3(2)5-4/h3-4H,1H2,2H3 C3H6OOH2-2 !! InChI=1S/C3H7O2/c1-3(2)5-4/h4H,1-2H3 IC3H7O2 !! InChI=1S/C3H7O2/c1-3(2)5-4/h3H,1-2H3 C3H6O1-3 !! InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2 C3H52-1,3OOH !! InChI=1S/C3H7O4/c4-6-2-1-3-7-5/h1,4-5H,2-3H2 AC3H5OOH !! InChI=1S/C3H6O2/c1-2-3-5-4/h2,4H,1,3H2 OH* !! InChI=1S/HO/h1H_excited C !! InChI=1S/C C2H5 !! InChI=1S/C2H5/c1-2/h1H2,2H3 C2H !! InChI=1S/C2H/c1-2/h1H CH3CO !! InChI=1S/C2H3O/c1-2-3/h1H3 CH2CO !! InChI=1S/C2H2O/c1-2-3/h1H2 CH3CO3 !! InChI=1S/C2H3O3/c1-2(3)5-4/h1H3 PC2H4OH !! InChI=1S/C2H5O/c1-2-3/h3H,1-2H2 C2H5O2 !! InChI=1S/C2H5O2/c1-2-4-3/h2H2,1H3 CH3COCH3 !! InChI=1S/C3H6O/c1-3(2)4/h1-2H3 C2H3CHO !! InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2 NC3H7 !! InChI=1S/C3H7/c1-3-2/h1,3H2,2H3 C3H5-T !! InChI=1S/C3H5/c1-3-2/h1H2,2H3 C3H5O !! InChI=1S/C3H5O/c1-2-3-4/h2H,1,3H2 C3H6OOH1-2O2 !! InChI=1S/C3H7O4/c1-2-3(6-4)7-5/h3-4H,2H2,1H3 NC3H7O2H !! InChI=1S/C3H8O2/c1-2-3-5-4/h4H,2-3H2,1H3 NC3H7O !! InChI=1S/C3H7O/c1-2-3-4/h2-3H2,1H3 C3KET12 !! InChI=1S/C3H6O3/c1-3(2-4)6-5/h2-3,5H,1H3 C3H6OH !! InChI=1S/C3H7O/c1-2-3-4/h2,4H,3H2,1H3 C2H3OOH !! InChI=1S/C2H4O2/c1-2-4-3/h2-3H,1H2 AR !! InChI=1S/Ar CH !! InChI=1S/CH/h1H C2H4 !! InChI=1S/C2H4/c1-2/h1-2H2 CH3CHO !! InChI=1S/C2H4O/c1-2-3/h2H,1H3 CH2CHO !! InChI=1S/C2H3O/c1-2-3/h2H,1H2 HCCO !! InChI=1S/C2HO/c1-2-3/h1H CH3CO2 !! InChI=1S/C2H3O2/c1-2(3)4/h1H3 SC2H4OH !! InChI=1S/C2H5O/c1-2-3/h2-3H,1H3 C2H4O2H !! InChI=1S/C2H5O2/c1-2-4-3/h3H,1-2H2 CH3COCH2 !! InChI=1S/C3H5O/c1-3(2)4/h1H2,2H3 C2H3CO !! InChI=1S/C3H3O/c1-2-3-4/h2H,1H2 HE !! InChI=1S/He C3H6 !! InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3 C3H4-P !! InChI=1S/C3H4/c1-3-2/h1H,2H3 C3H6OOH1-2 !! InChI=1S/C3H7O2/c1-2-3-5-4/h3-4H,2H2,1H3 C3H6OOH1-3O2 !! InChI=1S/C3H7O4/c4-6-2-1-3-7-5/h4H,1-3H2 IC3H7O2H !! InChI=1S/C3H8O2/c1-3(2)5-4/h3-4H,1-2H3 IC3H7O !! InChI=1S/C3H7O/c1-3(2)4/h3H,1-2H3 C3KET13 !! InChI=1S/C3H6O3/c4-2-1-3-6-5/h2,5H,1,3H2 HOC3H6O2 !! InChI=1S/C3H7O3/c1-3(2-4)6-5/h3-4H,2H2,1H3 CC3H4 !! InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2 N2 !! InChI=1S/N2/c1-2 CH2 !! InChI=1S/CH2/h1H2 CH* !! InChI=1S/CH/h1H_exited C2H3 !! InChI=1S/C2H3/c1-2/h1H,2H2 C2H3OH !! InChI=1S/C2H4O/c1-2-3/h2-3H,1H2 O2CH2CHO !! InChI=1S/C2H3O3/c3-1-2-5-4/h1H,2H2 HCCOH !! InChI=1S/C2H2O/c1-2-3/h1,3H C2H5OH !! InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 O2C2H4OH !! InChI=1S/C2H5O3/c3-1-2-5-4/h3H,1-2H2 C2H4O1-2 !! InChI=1S/C2H4O/c1-2-3-1/h1-2H2 CH3COCH2O2 !! InChI=1S/C3H5O3/c1-3(4)2-6-5/h2H2,1H3 C2H5CHO !! InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3 C3H8 !! InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 C3H5-A !! InChI=1S/C3H5/c1-3-2/h3H,1-2H2 C3H4-A !! InChI=1S/C3H4/c1-3-2/h1-2H2 C3H6OOH1-3 !! InChI=1S/C3H7O2/c1-2-3-5-4/h4H,1-3H2 C3H6OOH2-1O2 !! InChI=1S/C3H7O4/c1-3(7-5)2-6-4/h3,5H,2H2,1H3 NC3H7O2 !! InChI=1S/C3H7O2/c1-2-3-5-4/h2-3H2,1H3 C3H6O1-2 !! InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3 C3H51-2,3OOH !! InChI=1S/C3H7O4/c1-3(7-5)2-6-4/h3-5H,1-2H2 CH3CHCO !! InChI=1S/C3H4O/c1-2-3-4/h2H,1H3 H2CC !! InChI=1S/C2H2/c1-2/h1H2 CH3OCH2O2 !! InChI=1S/C2H5O3/c1-4-2-5-3/h2H2,1H3 CH3OCH3 !! InChI=1S/C2H6O/c1-3-2/h1-2H3 CH3OCHO !! InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3 CH3O2H !! InChI=1S/CH4O2/c1-3-2/h2H,1H3 CH4 !! InChI=1S/CH4/h1H4 O2 !! InChI=1S/O2/c1-2 HO2 !! InChI=1S/HO2/c1-2/h1H CH2OH !! InChI=1S/CH3O/c1-2/h2H,1H2 O2CHO !! InChI=1S/CHO3/c2-1-4-3/h1H CH3O !! InChI=1S/CH3O/c1-2/h1H3 HO2CH2OCHO !! InChI=1S/C2H4O4/c3-1-5-2-6-4/h1,4H,2H2 HOCH2O !! InChI=1S/CH3O2/c2-1-3/h2H,1H2 HCO !! InChI=1S/CHO/c1-2/h1H OCHO !! InChI=1S/CHO2/c2-1-3/h1H OH !! InChI=1S/HO/h1H CH2O !! InChI=1S/CH2O/c1-2/h1H2 O !! InChI=1S/O HO2CHO !! InChI=1S/CH2O3/c2-1-4-3/h1,3H HOCH2O2 !! InChI=1S/CH3O3/c2-1-4-3/h2H,1H2 HOCH2OCO !! InChI=1S/C2H3O3/c3-1-5-2-4/h3H,1H2 CH3OH !! InChI=1S/CH4O/c1-2/h2H,1H3 OCH2O2H !! InChI=1S/CH3O3/c2-1-4-3/h3H,1H2 H2O2 !! InChI=1S/H2O2/c1-2/h1-2H O2CH2OCH2O2H !! InChI=1S/C2H5O5/c3-6-1-5-2-7-4/h3H,1-2H2 HOCHO !! InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3) CH3OCO !! InChI=1S/C2H3O2/c1-4-2-3/h1H3 CH3OCH2O !! InChI=1S/C2H5O2/c1-4-2-3/h2H2,1H3 HOCH2O2H !! InChI=1S/CH4O3/c2-1-4-3/h2-3H,1H2 CH3OCH2O2H !! InChI=1S/C2H6O3/c1-4-2-5-3/h3H,2H2,1H3 H2 !! InChI=1S/H2/h1H CO !! InChI=1S/CO/c1-2 OCH2OCHO !! InChI=1S/C2H3O3/c3-1-5-2-4/h1H,2H2 CH3O2 !! InChI=1S/CH3O2/c1-3-2/h1H3 CH3OCH2 !! InChI=1S/C2H5O/c1-3-2/h1H2,2H3 CH3 !! InChI=1S/CH3/h1H3 H !! InChI=1S/H H2O !! InChI=1S/H2O/h1H2 CH2OCH2O2H !! InChI=1S/C2H5O3/c1-4-2-5-3/h3H,1-2H2 CO2 !! InChI=1S/CO2/c2-1-3 CH2OCHO !! InChI=1S/C2H3O2/c1-4-2-3/h2H,1H2 C2H2O3 !! InChI=1S/C2H2O3/c3-2-4-1-5-2/h1H2 C2H2O3_1 !! InChI=1S/C2H2O3/c3-1-5-2-4/h1-2H C2H2O4 !! InChI=1S/C2H2O4/c3-1-6-2(4)5/h1H,(H,4,5) C2H2O4_1 !! InChI=1S/C2H2O4/c3-1-5-2(4)6-1/h1,3H C2H2O5 !! InChI=1S/C2H2O5/c3-1-6-2(4)7-5/h1,5H C2H2O5_1 !! InChI=1S/C2H2O5/c3-1-5-2(6-1)7-4/h2,4H C2H3O2r !! InChI=1S/C2H3O2/c1-3-2-4-1/h1H,2H2 C2H3O3r !! InChI=1S/C2H3O3/c3-2-4-1-5-2/h2H,1H2 C2H3O3r_2 !! InChI=1S/C2H3O3/c1-5-2(3)4/h1H3 C2H3O3r_3 !! InChI=1S/C2H3O3/c3-2-4-1-5-2/h1-3H C2H3O3r_4 !! InChI=1S/C2H3O3/c3-2-4-1-5-2/h3H,1H2 C2H3O3r_5 !! InChI=1S/C2H3O3/c1-5-2(3)4/h1H2,(H,3,4) C2H3O3r_6 !! InChI=1S/C2H3O3/c3-1-5-2-4/h1-3H C2H3O4r !! InChI=1S/C2H3O4/c3-6-2-4-1-5-2/h2H,1H2 C2H3O4r_1 !! InChI=1S/C2H3O4/c3-1-5-2-6-4/h1H,2H2 C2H3O4r_10 !! InChI=1S/C2H3O4/c3-6-2-4-1-5-2/h1-3H C2H3O4r_11 !! InChI=1S/C2H3O4/c3-1-5-2-6-4/h1-2,4H C2H3O4r_12 !! InChI=1S/C2H3O4/c3-1-6-2(4)5/h3H,1H2 C2H3O4r_2 !! InChI=1S/C2H3O4/c3-1-5-2-6-4/h4H,2H2 C2H3O4r_3 !! InChI=1S/C2H3O4/c1-5-2(3)6-4/h1H3 C2H3O4r_4 !! InChI=1S/C2H3O4/c1-5-2(3)6-4/h4H,1H2 C2H3O4r_5 !! InChI=1S/C2H3O4/c3-1-6-2(4)5/h1H2,(H,4,5) C2H3O4r_6 !! InChI=1S/C2H3O4/c3-1-5-2(4)6-1/h1-3H/t1-,2+ C2H3O4r_7 !! InChI=1S/C2H3O4/c3-1-5-2(4)6-1/h1-3H/t1-,2- C2H3O4r_8 !! InChI=1S/C2H3O4/c3-1-6-2(4)5/h1-2,4H/t2-/m0/s1 C2H3O4r_9 !! InChI=1S/C2H3O4/c3-1-6-2(4)5/h1-2,4H/t2-/m1/s1 C2H3O5r !! InChI=1S/C2H3O5/c3-2(4)6-1-7-5/h1H2,(H,3,4) C2H3O5r_1 !! InChI=1S/C2H3O5/c3-1-5-2(6-1)7-4/h1-3H/t1-,2+ C2H3O5r_10 !! InChI=1S/C2H3O5/c3-1-5-2(6-1)7-4/h1-2,4H/t1-,2+ C2H3O5r_11 !! InChI=1S/C2H3O5/c3-1-5-2(6-1)7-4/h1-2,4H/t1-,2- C2H3O5r_12 !! InChI=1S/C2H3O5/c3-1-6-2(4)7-5/h1-2,5H/t2-/m0/s1 C2H3O5r_13 !! InChI=1S/C2H3O5/c3-1-6-2(4)7-5/h1-2,5H/t2-/m1/s1 C2H3O5r_2 !! InChI=1S/C2H3O5/c3-1-5-2(6-1)7-4/h1-3H/t1-,2- C2H3O5r_3 !! InChI=1S/C2H3O5/c3-1-6-2(4)7-5/h1-2,4H/t2-/m1/s1 C2H3O5r_4 !! InChI=1S/C2H3O5/c3-1-6-2(4)7-5/h1-2,4H/t2-/m0/s1 C2H3O5r_5 !! InChI=1S/C2H3O5/c3-1-6-2(4)7-5/h2,4-5H/t2-/m0/s1 C2H3O5r_6 !! InChI=1S/C2H3O5/c3-1-6-2(4)7-5/h2,4-5H/t2-/m1/s1 C2H3O5r_7 !! InChI=1S/C2H3O5/c3-1-6-2(4)7-5/h3H,1H2 C2H3O5r_8 !! InChI=1S/C2H3O5/c3-2(4)6-1-7-5/h5H,1H2 C2H3O5r_9 !! InChI=1S/C2H3O5/c3-1-6-2(4)7-5/h5H,1H2 C2H3O6r !! InChI=1S/C2H3O6/c3-2(8-5)6-1-7-4/h4H,1H2 C2H3O6r_1 !! InChI=1S/C2H3O6/c3-2(8-5)6-1-7-4/h5H,1H2 C2H3O6r_2 !! InChI=1S/C2H3O6/c3-7-1-5-2(6-1)8-4/h1-3H/t1-,2- C2H3O6r_3 !! InChI=1S/C2H3O6/c3-7-1-5-2(6-1)8-4/h1-3H/t1-,2+ C2H4O2_1 !! InChI=1S/C2H4O2/c1-3-2-4-1/h1-2H2 C2H4O3 !! InChI=1S/C2H4O3/c1-5-2(3)4/h1H3,(H,3,4) C2H4O3_1 !! InChI=1S/C2H4O3/c3-2-4-1-5-2/h2-3H,1H2 C2H4O3_2 !! InChI=1S/C2H4O3/c3-1-5-2-4/h1,4H,2H2 C2H4O4_1 !! InChI=1S/C2H4O4/c3-6-2-4-1-5-2/h2-3H,1H2 C2H4O5 !! InChI=1S/C2H4O5/c3-2(4)6-1-7-5/h5H,1H2,(H,3,4) C2H4O5_1 !! InChI=1S/C2H4O5/c3-1-6-2(4)7-5/h1-2,4-5H/t2-/m1/s1 C2H4O5_2 !! InChI=1S/C2H4O5/c3-1-6-2(4)7-5/h1-2,4-5H/t2-/m0/s1 C2H4O5_3 !! InChI=1S/C2H4O5/c3-1-5-2(6-1)7-4/h1-4H/t1-,2- C2H4O5_4 !! InChI=1S/C2H4O5/c3-1-5-2(6-1)7-4/h1-4H/t1-,2+ C2H5O2r_1 !! InChI=1S/C2H5O2/c1-4-2-3/h3H,1-2H2 C2H5O2r_2 !! InChI=1S/C2H5O2/c1-4-2-3/h2-3H,1H3 C2H5O3r_2 !! InChI=1S/C2H5O3/c1-5-2(3)4/h2-3H,1H3/t2-/m0/s1 C2H5O3r_3 !! InChI=1S/C2H5O3/c1-5-2(3)4/h2-3H,1H3/t2-/m1/s1 C2H5O3r_4 !! InChI=1S/C2H5O3/c3-1-5-2-4/h3H,1-2H2 C2H5O3r_5 !! InChI=1S/C2H5O3/c1-4-2-5-3/h2-3H,1H3 C2H5O4r !! InChI=1S/C2H5O4/c1-5-2(3)6-4/h2-3H,1H3/t2-/m0/s1 C2H5O4r_1 !! InChI=1S/C2H5O4/c1-5-2(3)6-4/h2-3H,1H3/t2-/m1/s1 C2H5O4r_2 !! InChI=1S/C2H5O4/c1-5-2(3)6-4/h2-4H,1H2/t2-/m1/s1 C2H5O4r_3 !! InChI=1S/C2H5O4/c1-5-2(3)6-4/h2-4H,1H2/t2-/m0/s1 C2H5O4r_4 !! InChI=1S/C2H5O4/c3-1-5-2-6-4/h3H,1-2H2 C2H5O4r_5 !! InChI=1S/C2H5O4/c1-5-2(3)6-4/h2,4H,1H3/t2-/m1/s1 C2H5O4r_6 !! InChI=1S/C2H5O4/c1-5-2(3)6-4/h2,4H,1H3/t2-/m0/s1 C2H5O4r_7 !! InChI=1S/C2H5O4/c3-1-5-2-6-4/h4H,1-2H2 C2H5O6r !! InChI=1S/C2H5O6/c3-2(8-5)6-1-7-4/h2-3,5H,1H2/t2-/m1/s1 C2H5O6r_1 !! InChI=1S/C2H5O6/c3-2(8-5)6-1-7-4/h2-3,5H,1H2/t2-/m0/s1 C2H6O2 !! InChI=1S/C2H6O2/c1-4-2-3/h3H,2H2,1H3 C2H6O4 !! InChI=1S/C2H6O4/c3-1-5-2-6-4/h3-4H,1-2H2 C2H6O4_1 !! InChI=1S/C2H6O4/c1-5-2(3)6-4/h2-4H,1H3/t2-/m0/s1 C2H6O4_2 !! InChI=1S/C2H6O4/c1-5-2(3)6-4/h2-4H,1H3/t2-/m1/s1 C2HO3r !! InChI=1S/C2HO3/c3-2-4-1-5-2/h1H C2HO3r_1 !! InChI=1S/C2HO3/c3-1-5-2-4/h1H C2HO4r !! InChI=1S/C2HO4/c3-1-5-2(4)6-1/h1H C2HO4r_1 !! InChI=1S/C2HO4/c3-1-6-2(4)5/h1H C2HO4r_2 !! InChI=1S/C2HO4/c3-1-6-2(4)5/h(H,4,5) C2HO4r_3 !! InChI=1S/C2HO4/c3-1-5-2(4)6-1/h3H C2HO5r !! InChI=1S/C2HO5/c3-1-5-2(6-1)7-4/h2H C2HO5r_1 !! InChI=1S/C2HO5/c3-1-6-2(4)7-5/h1H C2HO5r_2 !! InChI=1S/C2HO5/c3-1-6-2(4)7-5/h5H C2HO5r_3 !! InChI=1S/C2HO5/c3-1(4)7-2(5)6/h(H,3,4) C2HO6r !! InChI=1S/C2HO6/c3-1(4)7-2(5)8-6/h(H,3,4) C2O4 !! InChI=1S/C2O4/c3-1-5-2(4)6-1 C3H2O5 !! InChI=1S/C3H2O5/c4-2-6-1-7-3(5)8-2/h1H2 C3H2O5_1 !! InChI=1S/C3H2O5/c4-1-6-3-7-2(5)8-3/h1,3H C3H3O4r !! InChI=1S/C3H3O4/c4-3-6-1-5-2-7-3/h1H,2H2 C3H3O4r_1 !! InChI=1S/C3H3O4/c4-1-6-3-7-2-5/h1H,3H2 C3H3O4r_2 !! InChI=1S/C3H3O4/c1-6-3(5)7-2-4/h2H,1H2 C3H3O4r_3 !! InChI=1S/C3H3O4/c1-6-3(5)7-2-4/h1H3 C3H3O4r_4 !! InChI=1S/C3H3O4/c4-1-5-3-6-2-7-3/h1-3H C3H3O4r_5 !! InChI=1S/C3H3O4/c4-1-5-3-6-2-7-3/h3H,2H2 C3H3O4r_6 !! InChI=1S/C3H3O4/c4-1-5-3-6-2-7-3/h1H,2H2 C3H3O4r_7 !! InChI=1S/C3H3O4/c4-1-6-3-7-2-5/h1-3H C3H3O4r_8 !! InChI=1S/C3H3O4/c1-5-3-6-2(4)7-3/h3H,1H2 C3H3O4r_9 !! InChI=1S/C3H3O4/c1-5-3-6-2(4)7-3/h1H3 C3H3O5r !! InChI=1S/C3H3O5/c4-2-6-1-7-3(5)8-2/h2H,1H2/t2-/m0/s1 C3H3O5r_1 !! InChI=1S/C3H3O5/c4-1-7-3(6)8-2-5/h1H,2H2 C3H3O5r_2 !! InChI=1S/C3H3O5/c4-1-7-2-8-3(5)6/h1H,2H2 C3H3O5r_3 !! InChI=1S/C3H3O5/c4-2-6-1-7-3(5)8-2/h2H,1H2/t2-/m1/s1 C3H3O5r_4 !! InChI=1S/C3H3O5/c4-1-6-3-7-2(5)8-3/h1-3H/t2-,3- C3H3O5r_5 !! InChI=1S/C3H3O5/c4-1-6-3-7-2(5)8-3/h1-3H/t2-,3+ C3H3O5r_6 !! InChI=1S/C3H3O5/c4-1-7-3(6)8-2-5/h1-3H C3H3O5r_7 !! InChI=1S/C3H3O5/c4-1-6-3-7-2(5)8-3/h3H,1H2 C3H3O5r_8 !! InChI=1S/C3H3O5/c1-7-3(6)8-2(4)5/h1H3 C3H3O5r_9 !! InChI=1S/C3H3O5/c4-2(5)8-3-6-1-7-3/h3H,1H2 C3H3O6r !! InChI=1S/C3H3O6/c4-2-6-1-7-3(8-2)9-5/h3H,1H2/t3-/m1/s1 C3H3O6r_1 !! InChI=1S/C3H3O6/c4-2-6-1-7-3(8-2)9-5/h3H,1H2/t3-/m0/s1 C3H3O6r_10 !! InChI=1S/C3H3O6/c1-7-2(4)8-3(5)9-6/h6H,1H2 C3H3O6r_11 !! InChI=1S/C3H3O6/c4-2(9-5)8-3-6-1-7-3/h3H,1H2 C3H3O6r_12 !! InChI=1S/C3H3O6/c4-1-6-2-7-3(8-2)9-5/h1-3H/t2-,3+ C3H3O6r_13 !! InChI=1S/C3H3O6/c4-1-6-2-7-3(8-2)9-5/h1-3H/t2-,3- C3H3O6r_14 !! InChI=1S/C3H3O6/c4-1-6-2-7-3(8-2)9-5/h2-3,5H/t2-,3- C3H3O6r_15 !! InChI=1S/C3H3O6/c4-1-6-2-7-3(8-2)9-5/h2-3,5H/t2-,3+ C3H3O6r_16 !! InChI=1S/C3H3O6/c4-1-7-3(9-6)8-2-5/h1-3H C3H3O6r_17 !! InChI=1S/C3H3O6/c4-1-7-3(9-6)8-2-5/h1,3,6H/t3-/m0/s1 C3H3O6r_18 !! InChI=1S/C3H3O6/c4-1-7-3(9-6)8-2-5/h1,3,6H/t3-/m1/s1 C3H3O6r_19 !! InChI=1S/C3H3O6/c4-2-8-3(9-2)6-1-7-5/h3H,1H2 C3H3O6r_2 !! InChI=1S/C3H3O6/c4-2-6-1-7-3(8-2)9-5/h1,3,5H/t3-/m0/s1 C3H3O6r_3 !! InChI=1S/C3H3O6/c4-2-6-1-7-3(8-2)9-5/h1,3,5H/t3-/m1/s1 C3H3O6r_4 !! InChI=1S/C3H3O6/c4-1-7-3(5)8-2-9-6/h1H,2H2 C3H3O6r_5 !! InChI=1S/C3H3O6/c4-1-7-3(5)8-2-9-6/h6H,2H2 C3H3O6r_6 !! InChI=1S/C3H3O6/c4-1-7-2-8-3(5)9-6/h1H,2H2 C3H3O6r_7 !! InChI=1S/C3H3O6/c4-1-7-2-8-3(5)9-6/h1-2,6H C3H3O6r_8 !! InChI=1S/C3H3O6/c4-1-7-2-8-3(5)9-6/h6H,2H2 C3H3O6r_9 !! InChI=1S/C3H3O6/c1-7-2(4)8-3(5)9-6/h1H3 C3H4O4 !! InChI=1S/C3H4O4/c1-6-3(5)7-2-4/h2H,1H3 C3H4O4_1 !! InChI=1S/C3H4O4/c4-3-6-1-5-2-7-3/h1-2H2 C3H4O4_2 !! InChI=1S/C3H4O4/c4-1-5-3-6-2-7-3/h1,3H,2H2 C3H4O4_3 !! InChI=1S/C3H4O4/c1-5-3-6-2(4)7-3/h3H,1H3 C3H4O4_4 !! InChI=1S/C3H4O4/c4-1-6-3-7-2-5/h1-2H,3H2 C3H4O6 !! InChI=1S/C3H4O6/c4-2-6-1-7-3(8-2)9-5/h3,5H,1H2/t3-/m1/s1 C3H4O6_1 !! InChI=1S/C3H4O6/c4-1-6-2-7-3(8-2)9-5/h1-3,5H/t2-,3- C3H4O6_2 !! InChI=1S/C3H4O6/c4-2-6-1-7-3(8-2)9-5/h3,5H,1H2/t3-/m0/s1 C3H4O6_3 !! InChI=1S/C3H4O6/c4-1-7-3(5)8-2-9-6/h1,6H,2H2 C3H4O6_4 !! InChI=1S/C3H4O6/c4-2-8-3(9-2)6-1-7-5/h3,5H,1H2 C3H4O6_5 !! InChI=1S/C3H4O6/c4-1-7-3(9-6)8-2-5/h1-3,6H C3H4O6_6 !! InChI=1S/C3H4O6/c4-1-6-2-7-3(8-2)9-5/h1-3,5H/t2-,3+ C3H5O3r !! InChI=1S/C3H5O3/c1-4-3-5-2-6-3/h2-3H,1H3 C3H5O3r_1 !! InChI=1S/C3H5O3/c1-4-3-5-2-6-3/h3H,1-2H2 C3H5O3r_2 !! InChI=1S/C3H5O3/c1-4-3-5-2-6-3/h2H2,1H3 C3H5O3r_3 !! InChI=1S/C3H5O3/c1-5-3(4)6-2/h1H2,2H3 C3H5O3r_4 !! InChI=1S/C3H5O3/c1-5-3-6-2-4/h2-3H,1H3 C3H5O3r_5 !! InChI=1S/C3H5O3/c1-4-2-6-3-5-1/h1H,2-3H2 C3H5O3r_6 !! InChI=1S/C3H5O3/c1-5-3-6-2-4/h2H,1,3H2 C3H5O3r_7 !! InChI=1S/C3H5O3/c1-5-3-6-2-4/h3H2,1H3 C3H5O4r !! InChI=1S/C3H5O4/c1-6-3(5)7-2-4/h2H2,1H3 C3H5O4r_1 !! InChI=1S/C3H5O4/c4-1-5-3-6-2-7-3/h3H,1-2H2 C3H5O4r_2 !! InChI=1S/C3H5O4/c1-5-3-6-2(4)7-3/h2-3H,1H3/t2-,3+ C3H5O4r_3 !! InChI=1S/C3H5O4/c1-5-3-6-2(4)7-3/h2-3H,1H3/t2-,3- C3H5O4r_4 !! InChI=1S/C3H5O4/c1-6-3(5)7-2-4/h2-3H,1H3/t3-/m1/s1 C3H5O4r_5 !! InChI=1S/C3H5O4/c1-6-3(5)7-2-4/h2-3H,1H3/t3-/m0/s1 C3H5O4r_6 !! InChI=1S/C3H5O4/c4-3-6-1-5-2-7-3/h3H,1-2H2 C3H5O4r_7 !! InChI=1S/C3H5O4/c4-1-6-3-7-2-5/h1H,2-3H2 C3H5O4r_8 !! InChI=1S/C3H5O4/c1-6-2-7-3(4)5/h2H2,1H3 C3H5O5r !! InChI=1S/C3H5O5/c1-6-3(4)7-2-8-5/h2H2,1H3 C3H5O5r_1 !! InChI=1S/C3H5O5/c1-6-3(4)7-2-8-5/h5H,1-2H2 C3H5O5r_10 !! InChI=1S/C3H5O5/c1-6-3(8-5)7-2-4/h2-3,5H,1H2/t3-/m1/s1 C3H5O5r_11 !! InChI=1S/C3H5O5/c1-6-3(8-5)7-2-4/h3,5H,1H3/t3-/m1/s1 C3H5O5r_12 !! InChI=1S/C3H5O5/c4-8-3-6-1-5-2-7-3/h3H,1-2H2 C3H5O5r_13 !! InChI=1S/C3H5O5/c4-8-3-6-1-5-2-7-3/h1,3-4H,2H2/t3-/m1/s1 C3H5O5r_14 !! InChI=1S/C3H5O5/c4-8-3-6-1-5-2-7-3/h1,3-4H,2H2/t3-/m0/s1 C3H5O5r_15 !! InChI=1S/C3H5O5/c4-1-6-2-7-3-8-5/h1H,2-3H2 C3H5O5r_16 !! InChI=1S/C3H5O5/c4-1-6-2-7-3-8-5/h1-2,5H,3H2 C3H5O5r_17 !! InChI=1S/C3H5O5/c4-1-6-2-7-3-8-5/h5H,2-3H2 C3H5O5r_18 !! InChI=1S/C3H5O5/c1-6-2-7-3(4)8-5/h2H2,1H3 C3H5O5r_19 !! InChI=1S/C3H5O5/c1-6-2-7-3(4)8-5/h2,5H,1H3 C3H5O5r_2 !! InChI=1S/C3H5O5/c4-8-2-7-3-5-1-6-3/h3H,1-2H2 C3H5O5r_20 !! InChI=1S/C3H5O5/c1-6-2-7-3(4)8-5/h5H,1-2H2 C3H5O5r_3 !! InChI=1S/C3H5O5/c1-5-2-6-3(7-2)8-4/h2-3H,1H3/t2-,3+ C3H5O5r_4 !! InChI=1S/C3H5O5/c1-5-2-6-3(7-2)8-4/h2-4H,1H2/t2-,3+ C3H5O5r_5 !! InChI=1S/C3H5O5/c1-5-2-6-3(7-2)8-4/h2-4H,1H2/t2-,3- C3H5O5r_6 !! InChI=1S/C3H5O5/c1-6-3(8-5)7-2-4/h2-3H,1H3/t3-/m1/s1 C3H5O5r_7 !! InChI=1S/C3H5O5/c1-6-3(8-5)7-2-4/h2-3H,1H3/t3-/m0/s1 C3H5O5r_8 !! InChI=1S/C3H5O5/c1-6-3(8-5)7-2-4/h2-3,5H,1H2/t3-/m0/s1 C3H5O5r_9 !! InChI=1S/C3H5O5/c1-6-3(8-5)7-2-4/h3,5H,1H3/t3-/m0/s1 C3H6O3 !! InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3 C3H6O3_1 !! InChI=1S/C3H6O3/c1-4-3-5-2-6-3/h3H,2H2,1H3 C3H6O3_2 !! InChI=1S/C3H6O3/c1-5-3-6-2-4/h2H,3H2,1H3 C3H6O3_3 !! InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2 C3H6O5 !! InChI=1S/C3H6O5/c1-6-3(4)7-2-8-5/h5H,2H2,1H3 C3H6O5_1 !! InChI=1S/C3H6O5/c1-6-3(8-5)7-2-4/h2-3,5H,1H3/t3-/m0/s1 C3H6O5_2 !! InChI=1S/C3H6O5/c1-6-3(8-5)7-2-4/h2-3,5H,1H3/t3-/m1/s1 C3H6O5_3 !! InChI=1S/C3H6O5/c4-1-6-2-7-3-8-5/h1,5H,2-3H2 C3H6O5_4 !! InChI=1S/C3H6O5/c4-8-3-6-1-5-2-7-3/h3-4H,1-2H2 C3H6O5_5 !! InChI=1S/C3H6O5/c4-8-2-7-3-5-1-6-3/h3-4H,1-2H2 C3H6O5_6 !! InChI=1S/C3H6O5/c1-5-2-6-3(7-2)8-4/h2-4H,1H3/t2-,3+ C3H6O5_7 !! InChI=1S/C3H6O5/c1-5-2-6-3(7-2)8-4/h2-4H,1H3/t2-,3- C3H7O2r !! InChI=1S/C3H7O2/c1-4-3-5-2/h1,3H2,2H3 C3H7O2r_1 !! InChI=1S/C3H7O2/c1-4-3-5-2/h3H,1-2H3 C3H7O3r !! InChI=1S/C3H7O3/c1-5-3(4)6-2/h3H,1-2H3 C3H7O3r_1 !! InChI=1S/C3H7O3/c1-5-3-6-2-4/h2-3H2,1H3 C3H7O4r !! InChI=1S/C3H7O4/c1-5-3(6-2)7-4/h3H,1-2H3 C3H7O4r_1 !! InChI=1S/C3H7O4/c1-5-3(6-2)7-4/h3-4H,1H2,2H3/t3-/m0/s1 C3H7O4r_2 !! InChI=1S/C3H7O4/c1-5-3(6-2)7-4/h3-4H,1H2,2H3/t3-/m1/s1 C3H7O4r_3 !! InChI=1S/C3H7O4/c1-5-2-6-3-7-4/h2-3H2,1H3 C3H7O4r_4 !! InChI=1S/C3H7O4/c1-5-2-6-3-7-4/h2,4H,3H2,1H3 C3H7O4r_5 !! InChI=1S/C3H7O4/c1-5-2-6-3-7-4/h4H,1-3H2 C3H7O6r !! InChI=1S/C3H7O6/c1-6-3(9-5)7-2-8-4/h3,5H,2H2,1H3/t3-/m0/s1 C3H7O6r_1 !! InChI=1S/C3H7O6/c1-6-3(9-5)7-2-8-4/h3-5H,1-2H2/t3-/m0/s1 C3H7O6r_2 !! InChI=1S/C3H7O6/c1-6-3(9-5)7-2-8-4/h3,5H,2H2,1H3/t3-/m1/s1 C3H7O6r_3 !! InChI=1S/C3H7O6/c1-6-3(9-5)7-2-8-4/h3-5H,1-2H2/t3-/m1/s1 C3H7O6r_4 !! InChI=1S/C3H7O6/c4-8-2-6-1-7-3-9-5/h4H,1-3H2 C3H7O6r_5 !! InChI=1S/C3H7O6/c4-8-2-6-1-7-3-9-5/h1,4-5H,2-3H2 C3H7O6r_6 !! InChI=1S/C3H7O6/c1-6-3(9-5)7-2-8-4/h3-4H,2H2,1H3/t3-/m1/s1 C3H7O6r_7 !! InChI=1S/C3H7O6/c1-6-3(9-5)7-2-8-4/h3-4H,2H2,1H3/t3-/m0/s1 C3H8O2 !! InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3 C3H8O4 !! InChI=1S/C3H8O4/c1-5-2-6-3-7-4/h4H,2-3H2,1H3 C3H8O4_1 !! InChI=1S/C3H8O4/c1-5-3(6-2)7-4/h3-4H,1-2H3 CH2O3 !! InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)InChI=1S/C3H7O4/c1-5-2-6-3-7-4/h2-3H2,1H3 CH2O4 !! InChI=1S/CH2O4/c2-1(3)5-4/h4H,(H,2,3) CH3O2r_1 !! InChI=1S/CH3O2/c1-3-2/h2H,1H2 CH3O2r_3 !! InChI=1S/CH3O2/c2-1-3/h1-3H CH3O3r_2 !! InChI=1S/CH3O3/c2-1(3)4/h1-3H CH3O3r_3 !! InChI=1S/CH3O3/c2-1-4-3/h1-3H CH3O4r !! InChI=1S/CH3O4/c2-1(3)5-4/h1-3H CH3O4r_1 !! InChI=1S/CH3O4/c2-1(3)5-4/h1-2,4H/t1-/m0/s1 CH3O4r_2 !! InChI=1S/CH3O4/c2-1(3)5-4/h1-2,4H/t1-/m1/s1 CH4O2 !! InChI=1S/CH4O2/c2-1-3/h2-3H,1H2 CH4O4 !! InChI=1S/CH4O4/c2-1(3)5-4/h1-4H CHO2r_1 !! InChI=1S/CHO2/c2-1-3/h(H,2,3) CHO3r_1 !! InChI=1S/CHO3/c2-1(3)4/h(H,2,3) CHO3r_2 !! InChI=1S/CHO3/c2-1-4-3/h3H CHO4r !! InChI=1S/CHO4/c2-1(3)5-4/h(H,2,3) CHO4r_1 !! InChI=1S/CHO4/c2-1(3)5-4/h4H END THERMO ALL 300.0 1000.0 5000.0 HCOH H 2 O 1 C 1 G 3.0E+02 5.0E+03 1.4E+03 1 9.18749272E+00 1.52011152E-03-6.27603516E-07 1.09727989E-10-6.89655128E-15 2 7.81364593E+03-2.73434214E+01-2.82157421E+00 3.57331702E-02-3.80861580E-05 3 1.86205951E-08-3.45957838E-12 1.12956672E+04 3.48487757E+01 4 CH2(S) H 2 C 1 G 2.0E+02 6.0E+03 1.0E+03 1 3.13501686E+00 2.89593926E-03-8.16668090E-07 1.13572697E-10-6.36262835E-15 2 5.05040504E+04 4.06030621E+00 4.19331325E+00-2.33105184E-03 8.15676451E-06 3 -6.62985981E-09 1.93233199E-12 5.03662246E+04-7.46734310E-01 4 C2H6 H 6 C 2 G 2.0E+02 6.0E+03 1.0E+03 1 4.04666411E+00 1.53538802E-02-5.47039485E-06 8.77826544E-10-5.23167531E-14 2 -1.24473499E+04-9.68698313E-01 4.29142572E+00-5.50154901E-03 5.99438458E-05 3 -7.08466469E-08 2.68685836E-11-1.15222056E+04 2.66678994E+00 4 C2H2 H 2 C 2 G 2.0E+02 6.0E+03 1.0E+03 1 4.65878489E+00 4.88396667E-03-1.60828888E-06 2.46974544E-10-1.38605959E-14 2 2.57594042E+04-3.99838194E+00 8.08679682E-01 2.33615762E-02-3.55172234E-05 3 2.80152958E-08-8.50075165E-12 2.64289808E+04 1.39396761E+01 4 C2H2OH H 3 O 1 C 2 G 3.0E+02 5.0E+03 1.0E+03 1 6.81339897E+00 8.05827723E-03-3.11728612E-06 5.54590896E-10-3.71804255E-14 2 1.31583034E+04-1.09863525E+01 5.62397968E-01 2.64598620E-02-2.28453705E-05 3 9.14478695E-09-1.06711936E-12 1.48374643E+04 2.10439544E+01 4 HO2CH2CO H 3 O 3 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 1.04146322E+01 1.12680116E-02-5.17494839E-06 1.00333285E-09-6.68165911E-14 2 -1.40955672E+04-2.27894400E+01 2.22681686E+00 3.56781380E-02-3.26401909E-05 3 1.47651988E-08-2.64794380E-12-1.18735095E+04 1.91581197E+01 4 CH3CO3H H 4 O 3 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 1.25060485E+01 9.47789695E-03-3.30402246E-06 5.19630793E-10-3.04233568E-14 2 -4.59856703E+04-3.79195947E+01 2.24135876E+00 3.37963514E-02-2.53887482E-05 3 9.67583587E-09-1.49266157E-12-4.24677831E+04 1.70668133E+01 4 C2H5O H 5 O 1 C 2 G 2.0E+02 6.0E+03 1.0E+03 1 6.68899820E+00 1.31256760E-02-4.70388400E-06 7.58585520E-10-4.54133060E-14 2 -4.74578320E+03-9.69837550E+00 4.30742680E+00 6.41472050E-03 3.11397140E-05 3 -4.33140830E-08 1.72761840E-11-3.40275240E+03 5.90258370E+00 4 C2H5O2H H 6 O 2 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 1.12305737E+01 1.20482120E-02-3.96730201E-06 6.00754632E-10-3.42657803E-14 2 -2.47977531E+04-3.25607232E+01 1.57329011E+00 3.52379996E-02-2.53203993E-05 3 9.56802476E-09-1.48167375E-12-2.15278368E+04 1.90472032E+01 4 C2H3O1-2 H 3 O 1 C 2 G 2.0E+02 6.0E+03 1.0E+03 1 5.60158035E+00 9.17613962E-03-3.28028902E-06 5.27903888E-10-3.15362241E-14 2 1.71446252E+04-5.47228512E+00 3.58349017E+00-6.02275805E-03 6.32426867E-05 3 -8.18540707E-08 3.30444505E-11 1.85681353E+04 9.59725926E+00 4 C3KET21 H 6 O 3 C 3 G 3.0E+02 5.0E+03 1.4E+03 1 1.56377776E+01 1.44059342E-02-5.08808082E-06 8.07076119E-10-4.75295650E-14 2 -4.30657975E+04-5.13105869E+01 4.55686367E+00 3.57076837E-02-1.94712054E-05 3 4.70695431E-09-3.69753807E-13-3.86710975E+04 9.97761694E+00 4 C2H5CO H 5 O 1 C 3 G 2.0E+02 6.0E+03 1.0E+03 1 6.52325448E+00 1.54211952E-02-5.50898157E-06 8.85889862E-10-5.28846399E-14 2 -7.19631634E+03-5.19862218E+00 6.25722402E+00-9.17612184E-03 7.61190493E-05 3 -9.05514997E-08 3.46198215E-11-5.91616484E+03 2.23330599E+00 4 IC3H7 H 7 C 3 G 2.0E+02 6.0E+03 1.0E+03 1 5.30597255E+00 1.89854588E-02-6.74315384E-06 1.07993730E-09-6.42785036E-14 2 7.78748910E+03-2.23233935E+00 5.47421257E+00-8.42536682E-03 8.04607759E-05 3 -9.49287824E-08 3.59830971E-11 9.04939013E+03 3.40542323E+00 4 C3H5-S H 5 C 3 G 3.0E+02 5.0E+03 1.4E+03 1 8.30447254E+00 1.13525433E-02-3.85583517E-06 5.95730442E-10-3.44434061E-14 2 2.82273490E+04-2.02359952E+01 5.27650639E-01 2.95749512E-02-2.05159708E-05 3 7.69163477E-09-1.21882509E-12 3.09544881E+04 2.15637313E+01 4 C3H3 H 3 C 3 G 2.0E+02 6.0E+03 1.0E+03 1 7.14221719E+00 7.61902211E-03-2.67460030E-06 4.24914904E-10-2.51475443E-14 2 3.95709594E+04-1.25848690E+01 1.35110873E+00 3.27411291E-02-4.73827407E-05 3 3.76310220E-08-1.18541128E-11 4.07679941E+04 1.52058598E+01 4 C3H6OOH2-1 H 7 O 2 C 3 G 3.0E+02 5.0E+03 1.4E+03 1 1.42163221E+01 1.43382450E-02-4.78004477E-06 7.29133134E-10-4.17761973E-14 2 -5.67381620E+03-4.35770997E+01 2.09193950E+00 4.69220394E-02-3.90280831E-05 3 1.72381453E-08-3.07968979E-12-1.89377918E+03 2.00178282E+01 4 C3H6OOH2-2 H 7 O 2 C 3 G 3.0E+02 5.0E+03 1.4E+03 1 1.42163221E+01 1.43382450E-02-4.78004477E-06 7.29133134E-10-4.17761973E-14 2 -5.67381620E+03-4.35770997E+01 2.09193950E+00 4.69220394E-02-3.90280831E-05 3 1.72381453E-08-3.07968979E-12-1.89377918E+03 2.00178282E+01 4 IC3H7O2 H 7 O 2 C 3 G 3.0E+02 5.0E+03 1.4E+03 1 1.32493493E+01 1.64082190E-02-5.67432062E-06 8.87336340E-10-5.17361535E-14 2 -1.44109855E+04-4.29066213E+01 1.49941639E+00 4.43081205E-02-3.22414456E-05 3 1.29687136E-08-2.23370569E-12-1.02587980E+04 2.02336490E+01 4 C3H6O1-3 H 6 O 1 C 3 G 2.0E+02 6.0E+03 1.0E+03 1 6.80716906E+00 1.88824545E-02-6.79082475E-06 1.09713919E-09-6.57154952E-14 2 -1.36547629E+04-1.35382154E+01 5.15283752E+00-1.86401716E-02 1.29980652E-04 3 -1.58629974E-07 6.20668783E-11-1.13243512E+04 4.73561224E+00 4 C3H52-1,3OOH H 7 O 4 C 3 G 3.0E+02 5.0E+03 1.4E+03 1 2.02817964E+01 1.48155431E-02-5.25503386E-06 8.35963453E-10-4.93308915E-14 2 -1.80085066E+04-7.22688262E+01 4.12253742E+00 5.19553611E-02-3.83733727E-05 3 1.45851637E-08-2.29820536E-12-1.22759164E+04 1.48367359E+01 4 AC3H5OOH H 6 O 2 C 3 G 3.0E+02 5.0E+03 1.4E+03 1 1.36837693E+01 1.33968049E-02-4.61533631E-06 7.19988958E-10-4.19109988E-14 2 -1.33165248E+04-4.31904193E+01 2.43934647E+00 4.02070638E-02-2.95322679E-05 3 1.14715600E-08-1.85170511E-12-9.43679906E+03 1.70549969E+01 4 OH* H 1 O 1 G 3.0E+02 5.0E+03 1.0E+03 1 2.88273000E+00 1.01397430E-03-2.27687700E-07 2.17468300E-11-5.12630500E-16 2 5.02650000E+04 5.59571200E+00 3.63726600E+00 1.85091000E-04-1.67616460E-06 3 2.38720200E-09-8.43144200E-13 5.00213000E+04 1.35886050E+00 4 C C 1 G 2.0E+02 6.0E+03 1.0E+03 1 2.60558300E+00-1.95934340E-04 1.06737220E-07-1.64239400E-11 8.18705800E-16 2 8.54117420E+04 4.19238680E+00 2.55423950E+00-3.21537720E-04 7.33792230E-07 3 -7.32234870E-10 2.66521440E-13 8.54426810E+04 4.53130850E+00 4 C2H5 H 5 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 5.88784390E+00 1.03076793E-02-3.46844396E-06 5.32499257E-10-3.06512651E-14 2 1.15065499E+04-8.49651771E+00 1.32730217E+00 1.76656753E-02-6.14926558E-06 3 -3.01143466E-10 4.38617775E-13 1.34284028E+04 1.71789216E+01 4 C2H H 1 C 2 G 2.0E+02 6.0E+03 1.0E+03 1 3.66270248E+00 3.82492252E-03-1.36632500E-06 2.13455040E-10-1.23216848E-14 2 6.71683790E+04 3.92205792E+00 2.89867676E+00 1.32988489E-02-2.80733327E-05 3 2.89484755E-08-1.07502351E-11 6.70616050E+04 6.18547632E+00 4 CH3CO H 3 O 1 C 2 G 2.0E+02 6.0E+03 1.0E+03 1 5.31371650E+00 9.17377930E-03-3.32203860E-06 5.39474560E-10-3.24523680E-14 2 -3.64504140E+03-1.67575580E+00 4.03587050E+00 8.77294870E-04 3.07100100E-05 3 -3.92475650E-08 1.52968690E-11-2.68207380E+03 7.86176820E+00 4 CH2CO H 2 O 1 C 2 G 3.0E+02 5.0E+03 1.0E+03 1 5.35869367E+00 6.95641586E-03-2.64802637E-06 4.65067592E-10-3.08641820E-14 2 -7.90294013E+03-3.98525731E+00 1.81422511E+00 1.99008590E-02-2.21416008E-05 3 1.45028521E-08-3.98877068E-12-7.05394926E+03 1.36079359E+01 4 CH3CO3 H 3 O 3 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 1.12522498E+01 8.33652672E-03-2.89014530E-06 4.52781734E-10-2.64354456E-14 2 -2.60238584E+04-2.96370457E+01 3.60373432E+00 2.70080341E-02-2.08293438E-05 3 8.50541104E-09-1.43846110E-12-2.34205171E+04 1.12014914E+01 4 PC2H4OH H 5 O 1 C 2 G 2.0E+02 6.0E+03 1.0E+03 1 7.02824536E+00 1.20037746E-02-4.21306455E-06 6.69471213E-10-3.96371893E-14 2 -5.92493321E+03-9.40355948E+00 4.47893092E+00 7.59782301E-03 2.81794908E-05 3 -4.26953487E-08 1.78878934E-11-4.71446256E+03 6.38921206E+00 4 C2H5O2 H 5 O 2 C 2 G 2.0E+02 6.0E+03 1.0E+03 1 8.88872432E+00 1.35833179E-02-4.91116949E-06 7.92343362E-10-4.73525704E-14 2 -7.44107388E+03-1.90789836E+01 4.50099327E+00 6.87965342E-03 4.74143971E-05 3 -6.92287127E-08 2.87395324E-11-5.39547911E+03 7.91490068E+00 4 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5.0E+03 1.4E+03 1 1.42691004E+01 1.71837825E-02-5.83419536E-06 9.00994191E-10-5.20716210E-14 2 -3.14501750E+04-4.15295035E+01 3.06954289E+00 4.43105640E-02-3.18636260E-05 3 1.26409287E-08-2.12751901E-12-2.75893676E+04 1.83891218E+01 4 CC3H4 H 4 C 3 G 3.0E+02 5.0E+03 1.0E+03 1 6.69999310E+00 1.03573720E-02-3.45511670E-06 5.06529490E-10-2.66822760E-14 2 3.01990510E+04-1.33787700E+01-2.46210470E-02 2.31972150E-02-1.84743570E-06 3 -1.59275930E-08 8.68461550E-12 3.23341370E+04 2.27297620E+01 4 N2 N 2 G 2.0E+02 6.0E+03 1.0E+03 1 2.95257637E+00 1.39690040E-03-4.92631603E-07 7.86010195E-11-4.60755204E-15 2 -9.23948688E+02 5.87188762E+00 3.53100528E+00-1.23660988E-04-5.02999433E-07 3 2.43530612E-09-1.40881235E-12-1.04697628E+03 2.96747038E+00 4 CH2 H 2 C 1 G 2.0E+02 6.0E+03 1.0E+03 1 3.14631886E+00 3.03671259E-03-9.96474439E-07 1.50483580E-10-8.57335515E-15 2 4.60412605E+04 4.72341711E+00 3.71757846E+00 1.27391260E-03 2.17347251E-06 3 -3.48858500E-09 1.65208866E-12 4.58723866E+04 1.75297945E+00 4 CH* H 1 C 1 G 3.0E+02 5.0E+03 1.0E+03 1 2.19622300E+00 2.34038100E-03-7.05820100E-07 9.00758200E-11-3.85504000E-15 2 1.04195590E+05 9.17837300E+00 3.20020200E+00 2.07287500E-03-5.13443100E-06 3 5.73389000E-09-1.95553300E-12 1.03937140E+05 3.33158700E+00 4 C2H3 H 3 C 2 G 2.0E+02 6.0E+03 1.0E+03 1 4.15026763E+00 7.54021341E-03-2.62997847E-06 4.15974048E-10-2.45407509E-14 2 3.38566380E+04 1.72812235E+00 3.36377642E+00 2.65765722E-04 2.79620704E-05 3 -3.72986942E-08 1.51590176E-11 3.44749589E+04 7.91510092E+00 4 C2H3OH H 4 O 1 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 8.32598158E+00 8.03387281E-03-2.63928405E-06 3.98410726E-10-2.26551155E-14 2 -1.83221436E+04-2.02080305E+01-1.27972260E-01 3.38506073E-02-3.30644935E-05 3 1.64858739E-08-3.19935455E-12-1.59914544E+04 2.30438601E+01 4 O2CH2CHO H 3 O 3 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 1.11807543E+01 9.14479256E-03-3.15089833E-06 4.91944238E-10-2.86639180E-14 2 -1.55790331E+04-2.87892740E+01-1.29465843E+00 4.44936393E-02-4.26577074E-05 3 2.07391950E-08-3.96828771E-12-1.18275628E+04 3.60778797E+01 4 HCCOH H 2 O 1 C 2 G 2.0E+02 6.0E+03 1.0E+03 1 6.37509678E+00 5.49429011E-03-1.88136576E-06 2.93803536E-10-1.71771901E-14 2 8.93277676E+03-8.24498007E+00 2.05541154E+00 2.52003372E-02-3.80821654E-05 3 3.09890632E-08-9.89799902E-12 9.76872113E+03 1.22271534E+01 4 C2H5OH H 6 O 1 C 2 G 2.0E+02 6.0E+03 1.0E+03 1 6.56243650E+00 1.52042220E-02-5.38967950E-06 8.62250110E-10-5.12897870E-14 2 -3.15256210E+04-9.47302020E+00 4.85869570E+00-3.74017260E-03 6.95553780E-05 3 -8.86547960E-08 3.51688350E-11-2.99961320E+04 4.80185450E+00 4 O2C2H4OH H 5 O 3 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 1.07432659E+01 1.30957787E-02-4.45370088E-06 6.88548738E-10-3.98230113E-14 2 -2.55911274E+04-2.33254953E+01 4.11839445E+00 2.72240632E-02-1.60824430E-05 3 5.17033408E-09-7.31610168E-13-2.30857785E+04 1.28482112E+01 4 C2H4O1-2 H 4 O 1 C 2 G 2.0E+02 6.0E+03 1.0E+03 1 5.48876410E+00 1.20461900E-02-4.33369310E-06 7.00283110E-10-4.19490880E-14 2 -9.18042510E+03-7.07996050E+00 3.75905320E+00-9.44121800E-03 8.03097210E-05 3 -1.00807880E-07 4.00399210E-11-7.56081430E+03 7.84974750E+00 4 CH3COCH2O2 H 5 O 3 C 3 G 3.0E+02 5.0E+03 1.4E+03 1 1.27690342E+01 1.42554828E-02-4.92821461E-06 7.70448921E-10-4.49110534E-14 2 -2.34798669E+04-3.27155799E+01 5.95535468E+00 2.70255205E-02-1.37385031E-05 3 3.53735851E-09-4.03922557E-13-2.06679464E+04 5.21436049E+00 4 C2H5CHO H 6 O 1 C 3 G 2.0E+02 6.0E+03 1.0E+03 1 7.44085690E+00 1.77301764E-02-6.34081568E-06 1.02040803E-09-6.09461714E-14 2 -2.60055814E+04-1.44195446E+01 4.24529681E+00 6.68296706E-03 4.93337933E-05 3 -6.71986124E-08 2.67262347E-11-2.41473007E+04 6.90738560E+00 4 C3H8 H 8 C 3 G 2.0E+02 6.0E+03 1.0E+03 1 6.66919760E+00 2.06108751E-02-7.36512349E-06 1.18434262E-09-7.06914630E-14 2 -1.62754066E+04-1.31943379E+01 4.21093013E+00 1.70886504E-03 7.06530164E-05 3 -9.20060565E-08 3.64618453E-11-1.43810883E+04 5.61004451E+00 4 C3H5-A H 5 C 3 G 3.0E+02 5.0E+03 1.4E+03 1 8.71682542E+00 1.08257699E-02-3.63655884E-06 5.57706282E-10-3.20793321E-14 2 1.64375315E+04-2.39184681E+01-4.35181829E-01 3.40776627E-02-2.66098022E-05 3 1.09853986E-08-1.85107479E-12 1.94181924E+04 2.45509858E+01 4 C3H4-A H 4 C 3 G 2.0E+02 6.0E+03 1.0E+03 1 6.31687220E+00 1.11337280E-02-3.96293780E-06 6.35642380E-10-3.78755400E-14 2 2.01174950E+04-1.09957660E+01 2.61304450E+00 1.21225750E-02 1.85398800E-05 3 -3.45251490E-08 1.53350790E-11 2.15415670E+04 1.02261390E+01 4 C3H6OOH1-3 H 7 O 2 C 3 G 3.0E+02 5.0E+03 1.4E+03 1 1.46881564E+01 1.49941200E-02-5.24056505E-06 8.25462711E-10-4.83758952E-14 2 -4.77342863E+03-4.77984492E+01 1.88331465E+00 4.40156051E-02-3.07858462E-05 3 1.13214862E-08-1.75323184E-12-1.68779168E+02 2.14040621E+01 4 C3H6OOH2-1O2 H 7 O 4 C 3 G 3.0E+02 5.0E+03 1.4E+03 1 1.91759159E+01 1.59857013E-02-5.61306378E-06 8.86880495E-10-5.20877040E-14 2 -2.64412115E+04-6.77512936E+01 2.65196584E+00 5.74638149E-02-4.72190867E-05 3 2.05591557E-08-3.68787387E-12-2.08829371E+04 2.01547955E+01 4 NC3H7O2 H 7 O 2 C 3 G 2.0E+02 6.0E+03 1.0E+03 1 9.24489759E+00 2.14800809E-02-7.69335773E-06 1.23945160E-09-7.40911693E-14 2 -9.81187945E+03-2.20401438E+01 6.99488957E+00-7.50355088E-03 1.01250579E-04 3 -1.25012534E-07 4.84675978E-11-7.53004240E+03-2.03740242E+00 4 C3H6O1-2 H 6 O 1 C 3 G 2.0E+02 6.0E+03 1.0E+03 1 8.01491079E+00 1.73919953E-02-6.26027968E-06 1.01188256E-09-6.06239111E-14 2 -1.51980838E+04-1.88279964E+01 3.42806676E+00 6.25176642E-03 6.13196311E-05 3 -8.60387185E-08 3.51371393E-11-1.28446646E+04 1.04244994E+01 4 C3H51-2,3OOH H 7 O 4 C 3 G 3.0E+02 5.0E+03 1.4E+03 1 2.12378169E+01 1.39519596E-02-4.94539222E-06 7.86381389E-10-4.63925564E-14 2 -1.92864584E+04-7.69636561E+01 2.55619708E+00 6.13504487E-02-5.23205391E-05 3 2.28208029E-08-4.02231508E-12-1.31353414E+04 2.21043799E+01 4 CH3CHCO H 4 O 1 C 3 G 3.0E+02 5.0E+03 1.4E+03 1 1.00219123E+01 9.56966300E-03-3.26221644E-06 5.05231706E-10-2.92593257E-14 2 -1.42482738E+04-2.77829973E+01 1.48380119E+00 3.22203013E-02-2.70250033E-05 3 1.20499164E-08-2.18365931E-12-1.15276540E+04 1.71552068E+01 4 H2CC H 2 C 2 G 2.0E+02 6.0E+03 1.0E+03 1 4.27803400E+00 4.75628040E-03-1.63010090E-06 2.54628060E-10-1.48863790E-14 2 4.83166880E+04 6.40237010E-01 3.28154830E+00 6.97647910E-03-2.38552440E-06 3 -1.21044320E-09 9.81895450E-13 4.86217940E+04 5.92039100E+00 4 !!CH3OCH2O2 H 5 O 3 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 !!aramco !! 1.22024149E+01 1.19225104E-02-4.06624713E-06 6.30079576E-10-3.65065312E-14 2 !!-2.40327175E+04-3.38665462E+01 1.72101041E+00 3.78155492E-02-2.89668870E-05 3 !! 1.16796117E-08-1.93234479E-12-2.05308597E+04 2.19296296E+01 4 CH3OCH2O2 C 2 O 3 H 5 G 3.0E+02 1.5E+03 1.5E+03 1 !!AI 4.26275665E+00 2.38786830E-02-1.46739360E-06-1.03730174E-08 4.19829813E-12 2 -1.84757546E+04 1.07775386E+01 4.26275665E+00 2.38786830E-02-1.46739360E-06 3 -1.03730174E-08 4.19829813E-12-1.84757546E+04 1.07775386E+01 4 CH3OCH3 H 6 O 1 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 7.36358679E+00 1.38910153E-02-4.74083257E-06 7.34874498E-10-4.25867578E-14 2 -2.61148074E+04-1.61332876E+01 2.41860337E+00 1.87279640E-02-1.40894592E-06 3 -4.28367822E-09 1.36818123E-12-2.36771735E+04 1.28877967E+01 4 !!CH3OCHO H 4 O 2 C 2 G 2.0E+02 6.0E+03 1.0E+03 1 !!thermo aramco !! 6.33360880E+00 1.34851485E-02-4.84305805E-06 7.81719241E-10-4.67917447E-14 2 !!-4.68316521E+04-6.91542601E+00 5.96757028E+00-9.38085425E-03 7.07648417E-05 3 !!-8.29932227E-08 3.13522917E-11-4.55713267E+04 7.50341113E-01 4 ! [_ INCHI="InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" _] CH3OCHO C 2 O 2 H 4 G 3.0E+02 1.5E+03 1.5E+03 1 !!thermo me 2.31704017E+00 1.75837922E-02 2.76146090E-06-1.05746891E-08 3.75954680E-12 2 -4.45363715E+04 1.69959788E+01 2.31704017E+00 1.75837922E-02 2.76146090E-06 3 -1.05746891E-08 3.75954680E-12-4.45363715E+04 1.69959788E+01 4 !!CH3O2H H 4 O 2 C 1 G 2.0E+02 6.0E+03 1.0E+03 1 !!aramco !! 7.76538058E+00 8.61499712E-03-2.98006935E-06 4.68638071E-10-2.75339255E-14 2 !!-1.82979984E+04-1.43992663E+01 2.90540897E+00 1.74994735E-02 5.28243630E-06 3 !!-2.52827275E-08 1.34368212E-11-1.68894632E+04 1.13741987E+01 4 CH3O2H C 1 O 2 H 4 G 3.0E+02 1.5E+03 1.5E+03 1 !!AI 2.35018741E+00 1.91607378E-02-9.46740320E-06 9.98914347E-10 4.27267353E-13 2 -1.68273473E+04 1.55723230E+01 2.35018741E+00 1.91607378E-02-9.46740320E-06 3 9.98914347E-10 4.27267353E-13-1.68273473E+04 1.55723230E+01 4 !!CH3O2H C 1 O 2 H 4 G 3.0E+02 1.5E+03 1.5E+03 1 !!AI + adjusted H298 to value Knyazev !! 2.35018741E+00 1.91607378E-02-9.46740320E-06 9.98914347E-10 4.27267353E-13 2 !!-1.81885749E+04 1.55723230E+01 2.35018741E+00 1.91607378E-02-9.46740320E-06 3 !! 9.98914347E-10 4.27267353E-13-1.81885749E+04 1.55723230E+01 4 CH4 H 4 C 1 G 2.0E+02 6.0E+03 1.0E+03 1 1.65326226E+00 1.00263099E-02-3.31661238E-06 5.36483138E-10-3.14696758E-14 2 -1.00095936E+04 9.90506283E+00 5.14911468E+00-1.36622009E-02 4.91453921E-05 3 -4.84246767E-08 1.66603441E-11-1.02465983E+04-4.63848842E+00 4 O2 O 2 G 2.0E+02 6.0E+03 1.0E+03 1 3.66096065E+00 6.56365811E-04-1.41149627E-07 2.05797935E-11-1.29913436E-15 2 -1.21597718E+03 3.41536279E+00 3.78245636E+00-2.99673416E-03 9.84730201E-06 3 -9.68129509E-09 3.24372837E-12-1.06394356E+03 3.65767573E+00 4 HO2 H 1 O 2 G 2.0E+02 5.0E+03 1.0E+03 1 4.17228741E+00 1.88117627E-03-3.46277286E-07 1.94657549E-11 1.76256905E-16 2 3.10206839E+01 2.95767672E+00 4.30179807E+00-4.74912097E-03 2.11582905E-05 3 -2.42763914E-08 9.29225225E-12 2.64018485E+02 3.71666220E+00 4 CH2OH H 3 O 1 C 1 G 2.0E+02 6.0E+03 1.0E+03 1 5.09314370E+00 5.94761260E-03-2.06497460E-06 3.23008173E-10-1.88125902E-14 2 -4.03409640E+03-1.84691493E+00 4.47834367E+00-1.35070310E-03 2.78484980E-05 3 -3.64869060E-08 1.47907450E-11-3.50072890E+03 3.30913500E+00 4 O2CHO H 1 O 3 C 1 G 3.0E+02 5.0E+03 1.4E+03 1 7.24075139E+00 4.63312951E-03-1.63693995E-06 2.59706693E-10-1.52964699E-14 2 -1.87027618E+04-6.49547212E+00 3.96059309E+00 1.06002279E-02-5.25713351E-06 3 1.01716726E-09-2.87487602E-14-1.73599383E+04 1.17807483E+01 4 CH3O H 3 O 1 C 1 G 2.0E+02 6.0E+03 1.0E+03 1 4.75779238E+00 7.44142474E-03-2.69705176E-06 4.38090504E-10-2.63537098E-14 2 3.78111940E+02-1.96680028E+00 3.71180502E+00-2.80463306E-03 3.76550971E-05 3 -4.73072089E-08 1.86588420E-11 1.29569760E+03 6.57240864E+00 4 !!HO2CH2OCHO H 4 O 4 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 !!aramco !! 1.78528337E+01 7.54042388E-03-2.74895624E-06 4.45343367E-10-2.66154007E-14 2 !!-6.41380252E+04-6.47357373E+01 5.15432996E-01 4.76081860E-02-3.63877925E-05 3 !! 1.24225089E-08-1.50813145E-12-5.82730214E+04 2.81992694E+01 4 HO2CH2OCHO C 2 O 4 H 4 G 3.0E+02 1.5E+03 1.5E+03 1 !!AI -3.86288760E+00 8.09390155E-02-1.05757962E-04 6.66941118E-08-1.59325393E-11 2 -5.58164380E+04 4.17667082E+01-3.86288760E+00 8.09390155E-02-1.05757962E-04 3 6.66941118E-08-1.59325393E-11-5.58164380E+04 4.17667082E+01 4 HOCH2O H 3 O 2 C 1 G 3.0E+02 5.0E+03 1.5E+03 1 6.39521515E+00 7.43673043E-03-2.50422354E-06 3.84879712E-10-2.21778689E-14 2 -2.41108840E+04-6.63865583E+00 4.11183145E+00 7.53850697E-03 3.77337370E-06 3 -5.38746005E-09 1.45615887E-12-2.28023001E+04 7.46807254E+00 4 HCO H 1 O 1 C 1 G 2.0E+02 6.0E+03 1.0E+03 1 3.92001542E+00 2.52279324E-03-6.71004164E-07 1.05615948E-10-7.43798261E-15 2 3.65342928E+03 3.58077056E+00 4.23754610E+00-3.32075257E-03 1.40030264E-05 3 -1.34239995E-08 4.37416208E-12 3.87241185E+03 3.30834869E+00 4 OCHO H 1 O 2 C 1 G 2.0E+02 6.0E+03 1.0E+03 1 4.14394211E+00 5.59738818E-03-1.99794019E-06 3.16179193E-10-1.85614483E-14 2 -1.72459887E+04 5.07778617E+00 4.68825921E+00-4.14871834E-03 2.55066010E-05 3 -2.84473900E-08 1.04422559E-11-1.69867041E+04 4.28426480E+00 4 OH H 1 O 1 G 2.0E+02 6.0E+03 1.0E+03 1 2.83853033E+00 1.10741289E-03-2.94000209E-07 4.20698729E-11-2.42289890E-15 2 3.69780808E+03 5.84494652E+00 3.99198424E+00-2.40106655E-03 4.61664033E-06 3 -3.87916306E-09 1.36319502E-12 3.36889836E+03-1.03998477E-01 4 CH2O H 2 O 1 C 1 G 2.0E+02 6.0E+03 1.0E+03 1 3.16952665E+00 6.19320560E-03-2.25056366E-06 3.65975660E-10-2.20149458E-14 2 -1.45486831E+04 6.04207898E+00 4.79372312E+00-9.90833322E-03 3.73219990E-05 3 -3.79285237E-08 1.31772641E-11-1.43791953E+04 6.02798058E-01 4 O O 1 G 2.0E+02 6.0E+03 1.0E+03 1 2.54363697E+00-2.73162486E-05-4.19029520E-09 4.95481845E-12-4.79553694E-16 2 2.92260120E+04 4.92229457E+00 3.16826710E+00-3.27931884E-03 6.64306396E-06 3 -6.12806624E-09 2.11265971E-12 2.91222592E+04 2.05193346E+00 4 HO2CHO H 2 O 3 C 1 G 3.0E+02 5.0E+03 1.4E+03 1 9.87503878E+00 4.64663708E-03-1.67230522E-06 2.68624413E-10-1.59595232E-14 2 -3.80502496E+04-2.24939155E+01 2.42464726E+00 2.19706380E-02-1.68705546E-05 3 6.25612194E-09-9.11645843E-13-3.54828006E+04 1.75027796E+01 4 HOCH2O2 H 3 O 3 C 1 G 3.0E+02 5.0E+03 1.4E+03 1 9.04545938E+00 7.15223373E-03-2.37005676E-06 3.60083481E-10-2.05750228E-14 2 -2.49414886E+04-1.74210530E+01 2.85441621E+00 2.33663535E-02-1.88115990E-05 3 7.96709515E-09-1.36346618E-12-2.29866196E+04 1.51730565E+01 4 HOCH2OCO H 3 O 3 C 2 G 3.0E+02 5.0E+03 1.6E+03 1 1.13737391E+01 8.17663898E-03-2.92034021E-06 4.66695616E-10-2.76276823E-14 2 -4.65575743E+04-2.86035265E+01 6.08180801E+00 1.28768359E-02 2.04419418E-06 3 -6.10154921E-09 1.79820559E-12-4.39526183E+04 2.54054449E+00 4 CH3OH H 4 O 1 C 1 G 2.0E+02 6.0E+03 1.0E+03 1 3.52726795E+00 1.03178783E-02-3.62892944E-06 5.77448016E-10-3.42182632E-14 2 -2.60028834E+04 5.16758693E+00 5.65851051E+00-1.62983419E-02 6.91938156E-05 3 -7.58372926E-08 2.80427550E-11-2.56119736E+04-8.97330508E-01 4 OCH2O2H H 3 O 3 C 1 G 3.0E+02 5.0E+03 1.4E+03 1 1.15398246E+01 5.34291432E-03-1.81878917E-06 2.81968625E-10-1.63584348E-14 2 -1.68237489E+04-3.20700633E+01 1.93823075E+00 3.01465730E-02-2.61053152E-05 3 1.09463562E-08-1.78312692E-12-1.38166625E+04 1.85042002E+01 4 H2O2 H 2 O 2 G 2.0E+02 6.0E+03 1.0E+03 1 4.57977305E+00 4.05326003E-03-1.29844730E-06 1.98211400E-10-1.13968792E-14 2 -1.80071775E+04 6.64970694E-01 4.31515149E+00-8.47390622E-04 1.76404323E-05 3 -2.26762944E-08 9.08950158E-12-1.77067437E+04 3.27373319E+00 4 !!O2CH2OCH2O2H H 5 O 5 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 !!aramco !! 1.96207800E+01 9.96131702E-03-3.41480475E-06 5.31364852E-10-3.08902100E-14 2 !!-3.98679641E+04-6.72721405E+01-1.22579809E-01 6.64376755E-02-6.55340609E-05 3 !! 3.13441786E-08-5.79042960E-12-3.41530358E+04 3.49112501E+01 4 O2CH2OCH2O2H C 2 O 5 H 5 G 3.0E+02 1.5E+03 1.5E+03 1 !!AI 5.77526606E+00 4.36979020E-02-3.05197468E-05 7.87258164E-09-3.53530744E-14 2 -3.19626174E+04 8.78579294E-01 5.77526606E+00 4.36979020E-02-3.05197468E-05 3 7.87258164E-09-3.53530744E-14-3.19626174E+04 8.78579294E-01 4 HOCHO H 2 O 2 C 1 G 2.0E+02 6.0E+03 1.0E+03 1 4.61383160E+00 6.44963640E-03-2.29082510E-06 3.67160470E-10-2.18736750E-14 2 -4.75148500E+04 8.47883830E-01 3.89836160E+00-3.55877950E-03 3.55205380E-05 3 -4.38499590E-08 1.71077690E-11-4.67706090E+04 7.34953970E+00 4 !!CH3OCO H 3 O 2 C 2 G 2.0E+02 6.0E+03 1.0E+03 1 !!aramco !! 7.00171955E+00 1.01977290E-02-3.65621800E-06 5.89475086E-10-3.52561321E-14 2 !!-2.26135780E+04-9.05267669E+00 4.75563598E+00 7.80915313E-03 1.62272935E-05 3 !!-2.41210787E-08 9.42644561E-12-2.15157456E+04 4.78096491E+00 4 CH3OCO C 2 O 2 H 3 G 3.0E+02 1.5E+03 1.5E+03 1 !!AI 2.65756522E+00 1.70215336E-02-2.87475764E-06-4.80442654E-09 2.06300189E-12 2 -2.02522954E+04 1.60432297E+01 2.65756522E+00 1.70215336E-02-2.87475764E-06 3 -4.80442654E-09 2.06300189E-12-2.02522954E+04 1.60432297E+01 4 CH3OCH2O H 5 O 2 C 2 G 3.0E+02 5.0E+03 2.0E+03 1 8.60261845E+00 1.35772195E-02-4.84661602E-06 7.77766193E-10-4.62633624E-14 2 -2.13762444E+04-1.75775023E+01 3.25889339E+00 2.22146359E-02-7.78556340E-06 3 -2.41484158E-10 4.51914496E-13-1.92377212E+04 1.23680069E+01 4 HOCH2O2H H 4 O 3 C 1 G 3.0E+02 5.0E+03 1.4E+03 1 1.16303827E+01 7.15133688E-03-2.39035030E-06 3.65772791E-10-2.10199524E-14 2 -4.31079242E+04-3.24276725E+01 1.85716693E+00 3.23153132E-02-2.69928902E-05 3 1.11694484E-08-1.81284103E-12-4.00314471E+04 1.90917729E+01 4 CH3OCH2O2H H 6 O 3 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 1.46617126E+01 1.20544674E-02-4.13604704E-06 6.43721637E-10-3.74188832E-14 2 -4.18896186E+04-4.81293252E+01 7.37369081E-01 4.67410003E-02-3.73051936E-05 3 1.50735309E-08-2.43781978E-12-3.73260287E+04 2.57932851E+01 4 H2 H 2 G 2.0E+02 6.0E+03 1.0E+03 1 2.93286575E+00 8.26608026E-04-1.46402364E-07 1.54100414E-11-6.88804800E-16 2 -8.13065581E+02-1.02432865E+00 2.34433112E+00 7.98052075E-03-1.94781510E-05 3 2.01572094E-08-7.37611761E-12-9.17935173E+02 6.83010238E-01 4 CO O 1 C 1 G 2.0E+02 6.0E+03 1.0E+03 1 3.04848590E+00 1.35172810E-03-4.85794050E-07 7.88536440E-11-4.69807460E-15 2 -1.42661170E+04 6.01709770E+00 3.57953350E+00-6.10353690E-04 1.01681430E-06 3 9.07005860E-10-9.04424490E-13-1.43440860E+04 3.50840930E+00 4 !!OCH2OCHO H 3 O 3 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 !!aramco !! 1.24378042E+01 7.82259106E-03-2.82874305E-06 4.55808935E-10-2.71391601E-14 2 !!-4.44526361E+04-3.85337353E+01 3.92797655E+00 1.85731220E-02-4.14656828E-07 3 !!-6.94060480E-09 2.32311215E-12-4.07070844E+04 1.02048630E+01 4 OCH2OCHO C 2 O 3 H 3 G 3.0E+02 1.5E+03 1.5E+03 1 !!AI 2.03158462E+00 2.62634091E-02-1.05861707E-05-2.84979659E-09 2.13701710E-12 2 -4.18625247E+04 2.04746891E+01 2.03158462E+00 2.62634091E-02-1.05861707E-05 3 -2.84979659E-09 2.13701710E-12-4.18625247E+04 2.04746891E+01 4 CH3O2 H 3 O 2 C 1 G 3.0E+02 5.0E+03 1.0E+03 1 !!aramco 4.80390863E+00 9.95844638E-03-3.85301026E-06 6.84740497E-10-4.58402955E-14 2 -7.47135460E+02 1.45281400E+00 3.62497097E+00 3.59397933E-03 2.26538097E-05 3 -2.95391947E-08 1.11977570E-11 7.93040410E+01 9.96382194E+00 4 !!CH3O2 H 3 O 2 C 1 G 3.0E+02 5.0E+03 1.0E+03 1 !!adjusted H298 to value Knyazev !! 4.80390863E+00 9.95844638E-03-3.85301026E-06 6.84740497E-10-4.58402955E-14 2 !!-7.58568564E+02 1.45281400E+00 3.62497097E+00 3.59397933E-03 2.26538097E-05 3 !!-2.95391947E-08 1.11977570E-11-3.04168994E+02 9.96382194E+00 4 !!CH3OCH2 H 5 O 1 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 !!aramco !! 6.73134670E+00 1.18022530E-02-4.00104434E-06 6.17227325E-10-3.56435023E-14 2 !!-3.34933412E+03-9.40782513E+00 2.19172957E+00 1.90390966E-02-6.81450700E-06 3 !! 8.63577609E-11 3.23902492E-13-1.38948253E+03 1.62440756E+01 4 CH3OCH2 C 2 O 1 H 5 G 3.0E+02 1.5E+03 1.5E+03 1 !!AI 3.13737775E+00 1.53336346E-02 2.69695485E-06-9.10512636E-09 3.19368034E-12 2 -1.25027909E+03 1.32437911E+01 3.13737775E+00 1.53336346E-02 2.69695485E-06 3 -9.10512636E-09 3.19368034E-12-1.25027909E+03 1.32437911E+01 4 CH3 H 3 C 1 G 2.0E+02 6.0E+03 1.0E+03 1 2.97812060E+00 5.79785200E-03-1.97558000E-06 3.07297900E-10-1.79174160E-14 2 1.65095130E+04 4.72247990E+00 3.65717970E+00 2.12659790E-03 5.45838830E-06 3 -6.61810030E-09 2.46570740E-12 1.64227160E+04 1.67353540E+00 4 H H 1 G 2.0E+02 6.0E+03 1.0E+03 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 2.54736600E+04-4.46682850E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 2.54736600E+04-4.46682850E-01 4 H2O H 2 O 1 G 2.0E+02 6.0E+03 1.0E+03 1 2.67703890E+00 2.97318160E-03-7.73768890E-07 9.44335140E-11-4.26899910E-15 2 -2.98858940E+04 6.88255000E+00 4.19863520E+00-2.03640170E-03 6.52034160E-06 3 -5.48792690E-09 1.77196800E-12-3.02937260E+04-8.49009010E-01 4 !!CH2OCH2O2H H 5 O 3 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 !!aramco !! 1.51031233E+01 9.18263324E-03-3.15895361E-06 4.92789411E-10-2.87001298E-14 2 !!-1.96611854E+04-4.85172618E+01 9.08332173E-01 4.47997444E-02-3.69441578E-05 3 !! 1.48366604E-08-2.32279459E-12-1.50992319E+04 2.66419885E+01 4 CH2OCH2O2H C 2 O 3 H 5 G 3.0E+02 1.5E+03 1.5E+03 1 !!AI 1.55495363E+00 5.11885458E-02-5.40796410E-05 2.86281524E-08-5.93276904E-12 2 -1.38758269E+04 2.00718201E+01 1.55495363E+00 5.11885458E-02-5.40796410E-05 3 2.86281524E-08-5.93276904E-12-1.38758269E+04 2.00718201E+01 4 CO2 O 2 C 1 G 2.0E+02 6.0E+03 1.0E+03 1 4.63651110E+00 2.74145690E-03-9.95897590E-07 1.60386660E-10-9.16198570E-15 2 -4.90249040E+04-1.93489550E+00 2.35681300E+00 8.98412990E-03-7.12206320E-06 3 2.45730080E-09-1.42885480E-13-4.83719710E+04 9.90090350E+00 4 !!CH2OCHO H 3 O 2 C 2 G 3.0E+02 5.0E+03 1.4E+03 1 !!aramco !! 1.00960096E+01 7.19887066E-03-2.59813465E-06 4.18110812E-10-2.48723387E-14 2 !!-2.36389018E+04-2.71144175E+01 2.31031671E+00 1.80474065E-02-2.71519637E-06 3 !!-4.60918579E-09 1.70037078E-12-2.02910878E+04 1.71549722E+01 4 CH2OCHO C 2 O 2 H 3 G 3.0E+02 1.5E+03 1.5E+03 1 !!AI 2.47093229E+00 2.41033565E-02-1.24168280E-05-1.45626422E-10 1.28106218E-12 2 -2.03515807E+04 1.53237161E+01 2.47093229E+00 2.41033565E-02-1.24168280E-05 3 -1.45626422E-10 1.28106218E-12-2.03515807E+04 1.53237161E+01 4 C2H2O3 H 2 C 2 O 3 G 3.0E+02 1.5E+03 1.5E+03 1 -1.01320847E+01 9.63198793E-02-1.28221500E-04 7.80174377E-08-1.78649141E-11 2 -6.68111895E+04 4.92395923E+01-1.01320847E+01 9.63198793E-02-1.28221500E-04 3 7.80174377E-08-1.78649141E-11-6.68111895E+04 4.92395923E+01 4 C2H2O3_1 H 2 C 2 O 3 G 3.0E+02 1.5E+03 1.5E+03 1 -4.31284086E-02 4.17633582E-02-4.36800363E-05 2.22095747E-08-4.42612028E-12 2 -5.85911433E+04 2.57340098E+01-4.31284086E-02 4.17633582E-02-4.36800363E-05 3 2.22095747E-08-4.42612028E-12-5.85911433E+04 2.57340098E+01 4 C2H2O4 H 2 C 2 O 4 G 3.0E+02 1.5E+03 1.5E+03 1 1.86948990E+00 3.85991115E-02-3.31096956E-05 1.07863025E-08-6.66032133E-13 2 -8.67713415E+04 2.16575526E+01 1.86948990E+00 3.85991115E-02-3.31096956E-05 3 1.07863025E-08-6.66032133E-13-8.67713415E+04 2.16575526E+01 4 C2H2O4_1 H 2 C 2 O 4 G 3.0E+02 1.5E+03 1.5E+03 1 -1.23797633E+01 1.25141886E-01-1.81576595E-04 1.17504162E-07-2.81271752E-11 2 -9.10659232E+04 5.97464512E+01-1.23797633E+01 1.25141886E-01-1.81576595E-04 3 1.17504162E-07-2.81271752E-11-9.10659232E+04 5.97464512E+01 4 C2H2O5 H 2 C 2 O 5 G 1.0E+02 5.0E+03 9.7E+02 1 2.06284737E+01-5.32759996E-04 1.52261772E-06-4.05784187E-10 2.85832375E-14 2 -9.23496338E+04-7.49163405E+01 1.42705197E+00 4.46577237E-02-1.62615418E-05 3 -2.36718717E-08 1.50903741E-11-8.70112333E+04 2.54138963E+01 4 C2H2O5_1 H 2 C 2 O 5 G 3.0E+02 1.5E+03 1.5E+03 1 -5.63941555E+00 9.68515755E-02-1.26287536E-04 7.57614377E-08-1.72039946E-11 2 -8.13371010E+04 3.04177351E+01-5.63941555E+00 9.68515755E-02-1.26287536E-04 3 7.57614377E-08-1.72039946E-11-8.13371010E+04 3.04177351E+01 4 C2H3O2r H 3 C 2 O 2 G 3.0E+02 1.5E+03 1.5E+03 1 7.12153944E+00-1.30650550E-02 5.25706796E-05-4.50285882E-08 1.23214800E-11 2 -2.40154041E+03-5.08204359E+00 7.12153944E+00-1.30650550E-02 5.25706796E-05 3 -4.50285882E-08 1.23214800E-11-2.40154041E+03-5.08204359E+00 4 C2H3O3r H 3 C 2 O 3 G 3.0E+02 1.5E+03 1.5E+03 1 -6.49614805E+00 8.93920675E-02-1.24409311E-04 7.94918940E-08-1.89241011E-11 2 -3.28440070E+04 3.31353700E+01-6.49614805E+00 8.93920675E-02-1.24409311E-04 3 7.94918940E-08-1.89241011E-11-3.28440070E+04 3.31353700E+01 4 C2H3O3r_2 H 3 C 2 O 3 G 3.0E+02 1.5E+03 1.5E+03 1 1.95218888E+00 2.67764430E-02-1.15986904E-05-2.08078749E-09 1.93851216E-12 2 -4.34597706E+04 2.08656164E+01 1.95218888E+00 2.67764430E-02-1.15986904E-05 3 -2.08078749E-09 1.93851216E-12-4.34597706E+04 2.08656164E+01 4 C2H3O3r_3 H 3 C 2 O 3 G 3.0E+02 1.5E+03 1.5E+03 1 -8.41096001E+00 1.13352639E-01-1.75016775E-04 1.18680588E-07-2.93487611E-11 2 -4.23119950E+04 3.91911649E+01-8.41096001E+00 1.13352639E-01-1.75016775E-04 3 1.18680588E-07-2.93487611E-11-4.23119950E+04 3.91911649E+01 4 C2H3O3r_4 H 3 C 2 O 3 G 3.0E+02 1.5E+03 1.5E+03 1 -8.41096001E+00 1.13352639E-01-1.75016775E-04 1.18680588E-07-2.93487611E-11 2 -4.23119950E+04 3.91911649E+01-8.41096001E+00 1.13352639E-01-1.75016775E-04 3 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3.30732108E-02-4.36803420E-05 2.80657800E-08-6.77158125E-12 2 -2.62533350E+04 1.87847719E+01 1.14732910E+00 3.30732108E-02-4.36803420E-05 3 2.80657800E-08-6.77158125E-12-2.62533350E+04 1.87847719E+01 4 CH3O3r_2 H 3 C 1 O 3 G 3.0E+02 1.5E+03 1.5E+03 1 1.34577302E+00 3.73348231E-02-4.98301821E-05 3.31186155E-08-8.24291962E-12 2 -4.13392010E+04 1.86561443E+01 1.34577302E+00 3.73348231E-02-4.98301821E-05 3 3.31186155E-08-8.24291962E-12-4.13392010E+04 1.86561443E+01 4 CH3O3r_3 H 3 C 1 O 3 G 3.0E+02 1.5E+03 1.5E+03 1 8.41898739E+00 4.18307744E-03 8.20650871E-06-8.92213840E-09 2.51786220E-12 2 -1.68236331E+04-1.26387292E+01 8.41898739E+00 4.18307744E-03 8.20650871E-06 3 -8.92213840E-09 2.51786220E-12-1.68236331E+04-1.26387292E+01 4 CH3O4r H 3 C 1 O 4 G 3.0E+02 1.5E+03 1.5E+03 1 1.90877817E+00 4.28508970E-02-5.23588956E-05 3.16788945E-08-7.32013564E-12 2 -4.54255609E+04 1.82703751E+01 1.90877817E+00 4.28508970E-02-5.23588956E-05 3 3.16788945E-08-7.32013564E-12-4.54255609E+04 1.82703751E+01 4 CH3O4r_1 H 3 C 1 O 4 G 3.0E+02 1.5E+03 1.5E+03 1 8.08612077E+00 9.04451252E-03 5.45887662E-06-8.62410853E-09 2.68026104E-12 2 -3.16103787E+04-9.57395952E+00 8.08612077E+00 9.04451252E-03 5.45887662E-06 3 -8.62410853E-09 2.68026104E-12-3.16103787E+04-9.57395952E+00 4 CH3O4r_2 H 3 C 1 O 4 G 3.0E+02 1.5E+03 1.5E+03 1 8.08612077E+00 9.04451252E-03 5.45887662E-06-8.62410853E-09 2.68026104E-12 2 -3.16103787E+04-9.57395952E+00 8.08612077E+00 9.04451252E-03 5.45887662E-06 3 -8.62410853E-09 2.68026104E-12-3.16103787E+04-9.57395952E+00 4 CH4O2 H 4 C 1 O 2 G 3.0E+02 1.5E+03 1.5E+03 1 -5.51723859E+00 6.55382247E-02-8.66518905E-05 5.28899883E-08-1.20166631E-11 2 -4.83001065E+04 4.69124643E+01-5.51723859E+00 6.55382247E-02-8.66518905E-05 3 5.28899883E-08-1.20166631E-11-4.83001065E+04 4.69124643E+01 4 CH4O4 H 4 C 1 O 4 G 3.0E+02 1.5E+03 1.5E+03 1 -1.82181790E+00 7.42689126E-02-1.06493900E-04 7.06407051E-08-1.73338270E-11 2 -6.29618067E+04 3.09890823E+01-1.82181790E+00 7.42689126E-02-1.06493900E-04 3 7.06407051E-08-1.73338270E-11-6.29618067E+04 3.09890823E+01 4 CHO2r_1 H 1 C 1 O 2 G 3.0E+02 1.5E+03 1.5E+03 1 3.29070464E+00 1.05639057E-02-7.93594187E-06 2.92169642E-09-4.21339055E-13 2 -2.39002057E+04 9.06526791E+00 3.29070464E+00 1.05639057E-02-7.93594187E-06 3 2.92169642E-09-4.21339055E-13-2.39002057E+04 9.06526791E+00 4 CHO3r_1 H 1 C 1 O 3 G 3.0E+02 1.5E+03 1.5E+03 1 9.36771011E-01 2.59241648E-02-2.57375755E-05 1.22635807E-08-2.27483274E-12 2 -4.55947369E+04 2.15688630E+01 9.36771011E-01 2.59241648E-02-2.57375755E-05 3 1.22635807E-08-2.27483274E-12-4.55947369E+04 2.15688630E+01 4 CHO3r_2 H 1 C 1 O 3 G 1.0E+02 5.0E+03 7.4E+02 1 8.32785852E+00 7.54752336E-03-3.87532411E-06 8.36753251E-10-6.52230124E-14 2 -2.47341529E+04-1.73517096E+01-1.17057082E+00 3.65022977E-02-1.67738614E-05 3 -2.91723916E-08 2.42642057E-11-2.27209313E+04 2.97357614E+01 4 CHO4r H 1 C 1 O 4 G 3.0E+02 1.5E+03 1.5E+03 1 3.73059607E+00-3.14180156E-02 5.41350046E-05-3.89618106E-08 1.00136914E-11 2 1.75362458E+04-1.27187072E+01 3.73059607E+00-3.14180156E-02 5.41350046E-05 3 -3.89618106E-08 1.00136914E-11 1.75362458E+04-1.27187072E+01 4 CHO4r_1 H 1 C 1 O 4 G 3.0E+02 1.5E+03 1.5E+03 1 2.27684246E+00-1.63855063E-02 2.16051464E-05-1.30227840E-08 2.97637760E-12 2 2.90968642E+04-8.91032050E+00 2.27684246E+00-1.63855063E-02 2.16051464E-05 3 -1.30227840E-08 2.97637760E-12 2.90968642E+04-8.91032050E+00 4 END REACTIONS !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!! Aramco 1.3 base mechanism !!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! H+O2=O+OH 1.040E+14 0.000 15286.000 !REF:2 parameter fit to hong et al.proc. of the comb. inst. 33 (2011) 309ñ316 !REF:sutherland et al., 21st symposium, p. 929 (1986) O+H2=H+OH 5.080E+04 2.670 6292.000 !REF:Lam et al. Submitted IJCK OH+H2=H+H2O 4.380E+13 0.000 6990.000 !REF:sutherland et al., 23rd symposium, p. 51 (1990) O+H2O=OH+OH 2.970E+06 2.020 13400.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) H2+M=H+H+M 4.577E+19 -1.400 104400.000 H2/ 2.50/ H2O/ 12.00/ CO/ 1.90/ CO2/ 3.80/ HE/ 0.83/ CH4/ 2.00/ C2H6/ 3.00/ O+O+M=O2+M 6.165E+15 -0.500 0.000 H2/ 2.50/ H2O/ 12.00/ AR/ 0.83/ CO/ 1.90/ CO2/ 3.80/ HE/ 0.83/ CH4/ 2.00/ C2H6/ 3.00/ O+H+M=OH+M 4.714E+18 -1.000 0.000 H2/ 2.50/ H2O/ 12.00/ AR/ 0.75/ CO/ 1.50/ CO2/ 2.00/ HE/ 0.75/ CH4/ 2.00/ C2H6/ 3.00/ !REF: li ijck 36: 566ñ575, 2004 !REF:optimised to fit H2 and CH4 flames data H+OH+M=H2O+M 3.500E+22 -2.000 0.000 !REF:efficiencies from GRI 3.0 H2/ 0.73/ H2O/ 3.65/ CH4/ 2.00/ C2H6/ 3.00/ AR/ 0.38/ !REF:fernandes pccp 2008 H+O2(+M)=HO2(+M) 4.650E+12 0.440 0.000 LOW/ 1.737E+019 -1.230 0.0/ TROE/ 6.700E-001 1.000E-030 1.000E+030 1.000E+030/ H2/ 1.30/ CO/ 1.90/ CO2/ 3.80/ HE/ 0.00/ H2O/ 10.00/ AR/ 0.00/ CH4/ 2.00/ C2H6/ 3.00/ !! remove reactions !! H+O2=HO2 4.650E+012 0.440 0.0 !! !! !REF: bates et al. pccp 3 (2001) 2337-2342 !! LOW/ 6.810E+018 -1.200 0.0/ !! TROE/ 7.000E-001 1.000E-030 1.000E+030 1.000E+030/ !! !! !REF:LPL * 1.5 AK !! H+O2=HO2 4.650E+012 0.440 0.0 !! LOW/ 9.192E+018 -1.200 0.0/ !! TROE/ 5.900E-001 1.000E-030 1.000E+030 1.000E+030/ !! HO2+H=OH+OH 7.079E+013 0.000 295.0 !REF:michael sutherland 2000 H2+O2=H+HO2 5.176E+05 2.433 53502.000 !REF:baulch et al., j. phys. chem. ref data, 21:411 (1992) HO2+O=OH+O2 3.250E+13 0.000 0.000 !REF:keyser, j. phys. chem. 92:1193 (1988) reduced by 15% HO2+OH=H2O+O2 2.456E+13 0.000 -497.000 !REF:Hippler et al. j.chem.phys 93 1755-1760 (1990) HO2+HO2=H2O2+O2 1.300E+11 0.000 -1630.000 DUP !REF:reduced by 13% HO2+HO2=H2O2+O2 3.658E+14 0.000 12000.000 DUP !REF:troe, combust. flame, 158:594-601 (2011) !REF:rate constant is for n2 !! H2O2=OH+OH 2.000E+012 0.900 48749.0 !! LOW/ 1.865E+025 -2.300 48749.0/ !! TROE/ 5.100E-001 1.000E-030 1.000E+030/ H2O2(+M)=OH+OH(+M) 2.000E+12 0.900 48749.000 LOW/ 2.490E+024 -2.300 48749.0/ TROE/ 4.300E-001 1.000E-030 1.000E+030/ H2O/ 0.00/ CO2/ 1.60/ N2/ 1.50/ O2/ 1.20/ HE/ 0.65/ H2O2/ 7.70/ !REF:efficiencies for h2 and co taken from li et al., int. j. chem. kinet. 36:566-575 (2004) H2/ 3.70/ CO/ 2.80/ !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) H2O2+H=H2O+OH 2.410E+13 0.000 3970.000 !REF: ellingson j. phys. chem. (2007) 111, (51), 13554-13566 H2O2+H=H2+HO2 2.150E+10 1.000 6000.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) H2O2+O=OH+HO2 9.550E+06 2.000 3970.000 !REF: hong et al. j. phys. chem. a 114 (2010) 5718-5727 H2O2+OH=H2O+HO2 1.740E+12 0.000 318.000 DUP H2O2+OH=H2O+HO2 7.590E+13 0.000 7269.000 DUP !REF:meuller 99 * 0.76 CO+O(+M)=CO2(+M) 1.362E+10 0.000 2384.000 LOW/ 1.173E+024 -2.790 4191.0/ H2/ 2.00/ H2O/ 12.00/ CO/ 1.75/ CO2/ 3.60/ AR/ 0.70/ HE/ 0.70/ !REF:86tsa/ ham * 0.44 CO+O2=CO2+O 1.119E+12 0.000 47700.000 !REF: joshi and wang ijck (2006), 38, (1), 57-73. CO+OH=CO2+H 7.015E+04 2.053 -355.700 DUP CO+OH=CO2+H 5.757E+12 -0.664 331.800 DUP !REF:you et al. j. phys. chem. a 2007, 111, 4031-4042 CO+HO2=CO2+OH 1.570E+05 2.180 17940.000 !REF:li et al. ijck 2007 *1.2 HCO+M=H+CO+M 5.700E+11 0.660 14870.000 H2/ 2.00/ H2O/ 12.00/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ !REF:timonen et al., jpc, 92:651 (1988) HCO+H=CO+H2 7.340E+13 0.000 0.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) HCO+O=CO+OH 3.020E+13 0.000 0.000 HCO+O=CO2+H 3.000E+13 0.000 0.000 !REF:timonen et al., jpc, 92:651 (1988) HCO+OH=CO+H2O 1.020E+14 0.000 0.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) HCO+HO2=>CO2+H+OH 3.000E+13 0.000 0.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) HCO+HCO=>H2+CO+CO 3.000E+12 0.000 0.000 !REF:Mulenko, S.A. Rev. Roum. Phys. 32, 173 (1987) HCO+CH3=CH4+CO 2.650E+13 0.000 0.000 !REF:N. K. Srinivasan et al.,J. Phys. Chem. A 109, 7902-7914 (2005) CH2O+O2CHO=HCO+HO2CHO 1.990E+12 0.000 11660.000 !REF:wkm estimate H+CO2=OCHO 7.500E+13 0.000 29000.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) HCO+HCO=CH2O+CO 1.800E+13 0.000 0.000 !REF:oh* kathrotia et al. comb & flame 2010 H+O+M=OH*+M 1.500E+13 0.000 5975.000 H2/ 1.00/ H2O/ 6.50/ O2/ 0.40/ N2/ 0.40/ AR/ 0.35/ OH*+H2O=OH+H2O 5.930E+12 0.500 -860.000 OH*+H2=OH+H2 2.950E+12 0.500 -444.000 OH*+N2=OH+N2 1.080E+11 0.500 -1242.000 OH*+OH=OH+OH 6.010E+12 0.500 -764.000 OH*+H=OH+H 1.310E+12 0.500 -167.000 OH*+AR=OH+AR 1.690E+12 0.000 4135.000 OH*=OH 1.450E+06 0.000 0.000 OH*+O2=OH+O2 2.100E+12 0.500 -478.000 OH*+CO2=OH+CO2 2.750E+12 0.500 -968.000 OH*+CO=OH+CO 3.230E+12 0.500 -787.000 OH*+CH4=OH+CH4 3.360E+12 0.500 -635.000 CH+O2=CO+OH* 4.040E+13 0.000 0.000 C2H+O=CO+CH* 6.200E+12 0.000 0.000 C+H+M=CH*+M 6.000E+14 0.000 6940.000 !REF:devriendt, van look, ceursters, and peeters, chem phys lett. 261 (1996) 450, c2h+o2 C2H+O2=CO2+CH* 2.170E+10 0.000 0.000 !REF:hwang, gardiner, frenklach, hidaka, comb. fl. 67, 65-75 (1987) ch*=ch CH*+AR=CH+AR 4.000E+11 0.500 0.000 CH*+H2O=CH+H2O 5.300E+13 0.000 0.000 CH*+CO=CH+CO 2.440E+12 0.500 0.000 CH*+CO2=CH+CO2 2.410E-01 4.300 -1694.000 CH*+O2=CH+O2 2.480E+06 2.140 -1720.000 CH*+H2=CH+H2 1.470E+14 0.000 1361.000 CH*+CH4=CH+CH4 1.730E+13 0.000 167.000 CH*=CH 1.860E+06 0.000 0.000 CH*+N2=CH+N2 3.030E+02 3.400 -381.000 !REF:laskin et al. ijck 32 589-614 2000 HCO+H(+M)=CH2O(+M) 1.090E+12 0.480 -260.000 LOW/ 1.350E+024 -2.570 1425.0/ TROE/ 7.824E-001 2.710E+002 2.755E+003 6.570E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ CO+H2(+M)=CH2O(+M) 4.300E+07 1.500 79600.000 LOW/ 5.070E+027 -3.420 84348.0/ TROE/ 9.320E-001 1.970E+002 1.540E+003 1.030E+004/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ !REF:v. vasudevan et al. ijck. 37: 98--109 (2005). HOCH2O=HOCHO+H 1.000E+14 0.000 14900.000 !REF:Blake et al. J. Chem. Soc. B: 10, 1923 (1971) HOCHO=CO+H2O 2.450E+12 0.000 60470.000 HOCHO=CO2+H2 2.950E+09 0.000 48520.000 !REF:curran estimate OCHO+HO2=HOCHO+O2 3.500E+10 0.000 -3275.000 !REF:marinov estimate HOCHO+OH=>H2O+CO2+H 2.620E+06 2.060 916.000 HOCHO+OH=>H2O+CO+OH 1.850E+07 1.510 -962.000 HOCHO+H=>H2+CO2+H 4.240E+06 2.100 4868.000 !REF:marinov estimate HOCHO+H=>H2+CO+OH 6.030E+13 -0.350 2988.000 HOCHO+CH3=>CH4+CO+OH 3.900E-07 5.800 2200.000 !REF: curran estimate OCHO+H2O2=HOCHO+HO2 2.400E+12 0.000 10000.000 !REF:marinov estimate HOCHO+HO2=>H2O2+CO+OH 1.000E+12 0.000 11920.000 !REF:marinov estimate HOCHO+O=>CO+OH+OH 1.770E+18 -1.900 2975.000 !REF:curran estimate CH3O(+M)=CH2O+H(+M) 6.800E+13 0.000 26170.000 LOW/ 1.867E+025 -3.000 24307.0/ TROE/ 9.000E-001 2.500E+003 1.300E+003 1.000E+099/ H2/ 2.00/ H2O/ 6.00/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ !REF:Wantuck, P.J. e al. J. Phys. Chem. 91, 4653 (1987) !REF:Fittschen, C., J. Chim. Phys. 95: 2129 (1998). CH3O+CH3=CH2O+CH4 1.200E+13 0.000 0.000 !REF:hoyermann et al., 18th symposium CH3O+H=CH2O+H2 2.000E+13 0.000 0.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) CH3O+HO2=CH2O+H2O2 3.010E+11 0.000 0.000 !REF:laskin et al. ijck 32 589-614 2000 CH2O+H(+M)=CH2OH(+M) 5.400E+11 0.454 3600.000 LOW/ 1.270E+032 -4.820 6530.0/ TROE/ 7.187E-001 1.030E+002 1.291E+003 4.160E+003/ H2/ 2.00/ H2O/ 6.00/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ !REF:Grotheer, H. H. et al., J. Phys. Chem. 92: 4028 (1988). CH2OH+O2=CH2O+HO2 1.510E+15 -1.000 0.000 DUP CH2OH+O2=CH2O+HO2 2.410E+14 0.000 5017.000 DUP !REF:tsang, jpc ref. data, 16:471 (1987) CH2OH+H=CH2O+H2 6.000E+12 0.000 0.000 !REF:Norton, T.S et al., IJCK. (1991). CH2OH+HO2=CH2O+H2O2 1.200E+13 0.000 0.000 !REF:T. J. Held et al. IJCK. 30: 805--830 (1998) CH2OH+HCO=CH2O+CH2O 1.800E+14 0.000 0.000 !REF:Norton, T.S et al., IJCK. (1991). CH2OH+CH3O=CH2O+CH3OH 2.400E+13 0.000 0.000 !REF:tsang, jpc ref. data, 16:471 (1987) !CH3OH+HCO=CH2OH+CH2O 9.630E+003 2.900 13110.0 !SSM: Recalculated the rate coefficient at CBS-QB3 level barrier of 18.0 kcal/mol (original 13.110kcal/mol) OH+CH2OH=H2O+CH2O 2.400E+13 0.000 0.000 O+CH2OH=OH+CH2O 4.200E+13 0.000 0.000 CH2OH+CH2OH=CH2O+CH3OH 3.000E+12 0.000 0.000 !REF:curran estimate CH2O+HO2=OCH2O2H 1.500E+11 0.000 11900.000 OCH2O2H=HOCH2O2 3.000E+11 0.000 8600.000 !REF:J. Chem. Phys. 134, 094302 (2011) !REF:walker, r. w., reaction kinetics, vol. 1, s. p. r. chemical society, 1975 CH3O+CH3O=CH3OH+CH2O 6.030E+13 0.000 0.000 !REF:GRI CH3+H(+M)=CH4(+M) 1.270E+16 -0.630 383.000 LOW/ 2.477E+033 -4.760 2440.0/ TROE/ 7.830E-001 7.400E+001 2.941E+003 6.964E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ !REF:Baulch, D.L.; et al.,J. Phys. Chem. Ref. Data (2005) CH4+OH=CH3+H2O 5.830E+04 2.600 2190.000 !REF:GRI 3.0 CH4+O=CH3+OH 1.020E+09 1.500 8600.000 !REF:J. Aguilera-Iparraguirre et al. J Phys Chem A (2008) 112(30): 7047-7054. !REF:x1.5 !REF:GRI 3.0 CH4+CH2=CH3+CH3 2.460E+06 2.000 8270.000 !REF:from jasper/ Klipp,j.phys.chem a 111,19,3932-3950 !REF:only including trans hcoh for simplicity, do not have to combine the k's. !REF:it's not really significant anyway CH3+OH=CH2(S)+H2O 4.936E+14 -0.669 -445.800 PLOG/ 0.0100 4.936E+014 -0.669 -445.8/ PLOG/ 0.1000 1.207E+015 -0.778 -175.6/ PLOG/ 1.0000 5.282E+017 -1.518 1772.0/ PLOG/ 10.0000 4.788E+023 -3.155 7003.0/ PLOG/ 100.0000 8.433E+019 -1.962 8244.0/ !REF:from jasper/ Klipp,j.phys.chem a 111,19,3932-3950 CH3+OH=CH2O+H2 3.502E+05 1.441 -3244.000 PLOG/ 0.0100 3.502E+005 1.441 -3244.0/ PLOG/ 0.1000 8.854E+005 1.327 -2975.0/ PLOG/ 1.0000 1.650E+007 0.973 -2010.0/ PLOG/ 10.0000 5.374E+009 0.287 280.0/ PLOG/ 100.0000 9.494E+018 -2.199 9769.0/ !REF:increased by factor of 2 to improve agreement with Ch4 flamespeed CH3+OH=CH2OH+H 1.621E+10 0.965 3210.000 PLOG/ 0.0100 1.621E+010 0.965 3214.0/ PLOG/ 0.1000 1.807E+010 0.950 3247.0/ PLOG/ 1.0000 4.686E+010 0.833 3566.0/ PLOG/ 10.0000 1.525E+013 0.134 5641.0/ PLOG/ 100.0000 3.590E+014 -0.186 8601.0/ !REF:from jasper/ Klipp,j.phys.chem a 111,19,3932-3950 CH3+OH=H+CH3O 1.186E+09 1.016 11940.000 PLOG/ 0.0100 1.186E+009 1.016 11940.0/ PLOG/ 0.1000 1.188E+009 1.016 11940.0/ PLOG/ 1.0000 1.230E+009 1.011 11950.0/ PLOG/ 10.0000 1.798E+009 0.965 12060.0/ PLOG/ 100.0000 5.242E+010 0.551 13070.0/ CH3+OH=HCOH+H2 8.674E+08 0.787 -3046.000 PLOG/ 0.0100 8.674E+008 0.787 -3046.0/ PLOG/ 0.1000 3.115E+009 0.630 -2669.0/ PLOG/ 1.0000 1.557E+011 0.156 -1368.0/ PLOG/ 10.0000 1.704E+021 -2.641 6412.0/ PLOG/ 100.0000 7.250E+020 -2.402 9639.0/ !REF:marinov 1996 HCOH+OH=HCO+H2O 2.000E+13 0.000 0.000 HCOH+H=CH2O+H 2.000E+14 0.000 0.000 HCOH+O=>CO2+H+H 5.000E+13 0.000 0.000 HCOH+O=>CO+OH+H 3.000E+13 0.000 0.000 HCOH+O2=>CO2+H+OH 5.000E+12 0.000 0.000 HCOH+O2=CO2+H2O 3.000E+13 0.000 0.000 !REF: jasper/ klippenstein proc combust inst 32 (2009) 279ñ286 !REF:Harding and Klippenstein 2B04, 30th Symp 2004. CH3+O=CH2O+H 5.540E+13 0.050 -136.000 !REF:R.X. Fernandes et al.,J Phys. Chem. A, (2006) 110:4442-4449. !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) !REF:new fit from HJC !REF:x1.5 CH4+CH3O2=CH3+CH3O2H 9.600E-01 3.770 17810.000 !REF:tsang, jpc ref. data, 16:471 (1987) !REF:Keiffer, M. et al.,J. Chem. Soc. Faraday Trans. 2: 84, 505 (1988) CH3O2+H=CH3O+OH 9.600E+13 0.000 0.000 CH3O2+O=CH3O+O2 3.600E+13 0.000 0.000 CH2(S)+N2=CH2+N2 1.500E+13 0.000 600.000 CH2(S)+AR=CH2+AR 9.000E+12 0.000 600.000 CH2(S)+H=CH+H2 3.000E+13 0.000 0.000 CH2(S)+O=CO+H2 1.500E+13 0.000 0.000 CH2(S)+O=HCO+H 1.500E+13 0.000 0.000 CH2(S)+OH=CH2O+H 3.000E+13 0.000 0.000 CH2(S)+H2=CH3+H 7.000E+13 0.000 0.000 CH2(S)+O2=>H+OH+CO 2.800E+13 0.000 0.000 CH2(S)+O2=CO+H2O 1.200E+13 0.000 0.000 CH2(S)+H2O=CH2+H2O 3.000E+13 0.000 0.000 CH2(S)+CO=CH2+CO 9.000E+12 0.000 0.000 CH2(S)+CO2=CH2+CO2 7.000E+12 0.000 0.000 CH2(S)+CO2=CH2O+CO 1.400E+13 0.000 0.000 !REF:laskin et al. ijck 32 589-614 2000 CH2+H(+M)=CH3(+M) 2.500E+16 -0.800 0.000 LOW/ 3.200E+027 -3.140 1230.0/ TROE/ 6.800E-001 7.800E+001 1.995E+003 5.590E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ !REF:gri 3.0 CH2+O2=HCO+OH 1.060E+13 0.000 1500.000 CH2+O2=>CO2+H+H 2.640E+12 0.000 1500.000 CH2+O=>CO+H+H 5.000E+13 0.000 0.000 CH2+H=CH+H2 1.000E+18 -1.560 0.000 DUP CH2+OH=CH+H2O 1.130E+07 2.000 3000.000 CH+O2=HCO+O 3.300E+13 0.000 0.000 !REF:glarborg, miller, and kee, western states section, san antonio (1985) C+OH=CO+H 5.000E+13 0.000 0.000 C+O2=CO+O 5.000E+13 0.000 0.000 !REF: GRI CH+H=C+H2 1.100E+14 0.000 0.000 !REF:messing et al.,j. chem. phys. 74, 3874 (1981) CH+O=CO+H 5.700E+13 0.000 0.000 !REF:glarborg, miller, and kee, western states section, san antonio (1985) CH+OH=HCO+H 3.000E+13 0.000 0.000 !REF:mayer, s. w. et al., eleventh international symposium on combustion CH2+H=CH+H2 2.700E+11 0.670 25700.000 DUP !REF:Smith et al., GRI Mech version 2.11 CH+H2O=H+CH2O 1.713E+13 0.000 -755.000 !REF:1/ 2 of berman, fleming, harvey and lin, 19th symp. comb. p. 73, 1982 CH+CO2=HCO+CO 1.700E+12 0.000 685.000 !REF:wang et al., jpc a 107:11414 (2003) CH3+CH3(+M)=C2H6(+M) 2.277E+15 -0.690 174.900 LOW/ 8.054E+031 -3.750 981.6/ TROE/ 0.000E+000 5.700E+002 1.000E+030 1.000E+030/ H2O/ 5.00/ CO/ 2.00/ CO2/ 3.00/ !REF:GRI 3.0 C2H5+H(+M)=C2H6(+M) 5.210E+17 -0.990 1580.000 LOW/ 1.990E+041 -7.080 6685.0/ TROE/ 8.420E-001 1.250E+002 2.219E+003 6.882E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ C2H6+H=C2H5+H2 1.150E+08 1.900 7530.000 !REF: *Miyoshi,A. et al., Chem. Phys. Lett. 204, 241-247 (1993) C2H6+O=C2H5+OH 3.550E+06 2.400 5830.000 !REF:curran, fit to NIST database C2H6+OH=C2H5+H2O 1.480E+07 1.900 950.000 !REF:baulch et al., j. phys. chem. ref data, 21:411 (1992) C2H6+O2=C2H5+HO2 6.030E+13 0.000 51870.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) C2H6+CH3=C2H5+CH4 5.480E-01 4.000 8280.000 !REF:J. Aguilera-Iparraguirre et al. J Phys Chem A (2008) 112(30): 7047-7054. C2H6+HO2=C2H5+H2O2 3.460E+01 3.610 16920.000 !REF:Carstensen and Dean Proc Combust Inst 30 (2005) 995ñ1003 C2H6+CH3O2=C2H5+CH3O2H 1.940E+01 3.640 17100.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) C2H6+CH3O=C2H5+CH3OH 2.410E+11 0.000 7090.000 C2H6+CH=C2H5+CH2 1.100E+14 0.000 -260.000 !REF:miller, j.a. and bowman, c.t., !REF:mechanism and modeling of nitrogen chemistry in combustion, wss/ ci, autumn 1988 CH2(S)+C2H6=CH3+C2H5 1.200E+14 0.000 0.000 !REF:miller klippenstein pccp 2004, 6, 1192-1202 !REF:hp and lp limit*0.7 C2H4+H(+M)=C2H5(+M) 9.569E+08 1.463 1355.000 LOW/ 1.419E+039 -6.642 5769.0/ TROE/ -5.690E-001 2.990E+002 -9.147E+003 1.524E+002/ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/ !REF: H2+CH3O2=H+CH3O2H 1.500E+14 0.000 26030.000 H2+C2H5O2=H+C2H5O2H 1.500E+14 0.000 26030.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) C2H4+C2H4=C2H5+C2H3 4.820E+14 0.000 71530.000 !REF:Zhu, R.S. et al.,J. Chem. Phys. 120:6566:6573 (2004) CH3+C2H5=CH4+C2H4 1.180E+04 2.450 -2921.000 !REF:stewart et al c&f 1989 CH3+CH3=H+C2H5 4.740E+12 0.105 10664.300 PLOG/ 0.0100 4.740E+012 0.105 10664.3/ PLOG/ 0.1000 2.570E+013 -0.096 11406.1/ PLOG/ 1.0000 3.100E+014 -0.362 13372.5/ PLOG/ 10.0000 2.150E+010 0.885 13532.5/ PLOG/ 100.0000 1.032E+002 3.230 11236.1/ !REF:Curran: fit to Pratt/ Wood 84 and Pratt/ Veldman 76 C2H5+H=C2H4+H2 2.000E+12 0.000 0.000 !REF:GRI 3.0 C2H5+O=CH3CHO+H 1.100E+14 0.000 0.000 !REF:Curran. Based on ch3+ho2=products C2H5+HO2=C2H5O+OH 1.100E+13 0.000 0.000 !REF:Curran. Based on ch3+ho2=products CH3O2+C2H5=CH3O+C2H5O 8.000E+12 0.000 -1000.000 !REF: Hartmann et al. 1990 C2H5O+O2=CH3CHO+HO2 4.280E+10 0.000 1097.000 !REF: Curran estimate CH3+CH2O=C2H5O 3.000E+11 0.000 6336.000 !REF:Harding J. Phys. Chem., Vol. 114, No. 2, 2010 CH3CHO+H=C2H5O 4.610E+07 1.710 7090.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) C2H5O2+CH2O=C2H5O2H+HCO 1.990E+12 0.000 11660.000 !REF:based on ch4+ch3o2 CH4+C2H5O2=CH3+C2H5O2H 1.810E+11 0.000 18480.000 !REF:tsang, jpc ref. data, 16:471 (1987) CH3OH+C2H5O2=CH2OH+C2H5O2H 1.810E+12 0.000 13710.000 C2H5O2+HO2=C2H5O2H+O2 1.750E+10 0.000 -3275.000 !REF:Carstensen and Dean Proc Combust Inst 30 (2005) 995ñ1003 C2H6+C2H5O2=C2H5+C2H5O2H 8.600E+00 3.760 17200.000 C2H5O2H=C2H5O+OH 6.310E+14 0.000 42300.000 C2H5+O2=C2H5O2 3.398E+53 -13.900 9279.000 PLOG/ 0.0400 3.398E+053 -13.900 9279.0/ PLOG/ 1.0000 9.362E+059 -15.280 14240.0/ PLOG/ 10.0000 1.262E+060 -14.910 16240.0/ C2H5+O2=C2H4O2H 2.103E+34 -9.010 5444.000 PLOG/ 0.0400 2.103E+034 -9.010 5444.0/ PLOG/ 1.0000 4.884E+033 -8.310 7710.0/ PLOG/ 10.0000 1.705E+045 -11.490 14590.0/ C2H5+O2=C2H4+HO2 2.094E+09 0.490 -391.400 DUP PLOG/ 0.0400 2.094E+009 0.490 -391.4/ PLOG/ 1.0000 1.843E+007 1.130 -720.6/ PLOG/ 10.0000 7.561E+014 -1.010 4749.0/ C2H5+O2=C2H4+HO2 6.609E+00 3.510 14160.000 DUP C2H5+O2=C2H4O1-2+OH 1.303E+03 1.930 -502.700 PLOG/ 0.0400 1.303E+003 1.930 -502.7/ PLOG/ 1.0000 2.438E+002 2.180 -62.5/ PLOG/ 10.0000 4.621E+009 0.150 5409.0/ C2H5+O2=CH3CHO+OH 4.908E-06 4.760 254.300 PLOG/ 0.0400 4.908E-006 4.760 254.3/ PLOG/ 1.0000 6.803E-002 3.570 2643.0/ PLOG/ 10.0000 8.265E+002 2.410 5285.0/ C2H4O2H=C2H5O2 2.653E-16 6.960 2396.000 PLOG/ 0.0400 2.653E-016 6.960 2396.0/ PLOG/ 1.0000 1.064E+041 -10.100 26030.0/ PLOG/ 10.0000 1.203E+036 -8.130 27020.0/ C2H5O2=CH3CHO+OH 1.237E+35 -9.420 36360.000 PLOG/ 0.0400 1.237E+035 -9.420 36360.0/ PLOG/ 1.0000 1.687E+036 -9.220 38700.0/ PLOG/ 10.0000 2.520E+041 -10.200 43710.0/ C2H5O2=C2H4+HO2 1.782E+32 -7.100 32840.000 PLOG/ 0.0400 1.782E+032 -7.100 32840.0/ PLOG/ 1.0000 2.701E+037 -8.470 35840.0/ PLOG/ 10.0000 1.980E+038 -8.460 37900.0/ C2H5O2=C2H4O1-2+OH 5.778E+45 -11.900 4112.000 PLOG/ 0.0400 5.778E+045 -11.900 4112.0/ PLOG/ 1.0000 1.916E+043 -10.750 42400.0/ PLOG/ 10.0000 3.965E+043 -10.460 45580.0/ C2H4O2H=C2H4O1-2+OH 8.959E+38 -9.400 20660.000 PLOG/ 0.0400 8.959E+038 -9.400 20660.0/ PLOG/ 1.0000 1.224E+037 -8.320 21460.0/ PLOG/ 10.0000 8.848E+030 -6.080 20660.0/ C2H4O2H=C2H4+HO2 3.918E+40 -10.200 22250.000 PLOG/ 0.0400 3.918E+040 -10.200 22250.0/ PLOG/ 1.0000 6.825E+040 -9.610 23840.0/ PLOG/ 10.0000 3.980E+034 -7.250 23250.0/ C2H4O2H=CH3CHO+OH 5.819E+26 -7.970 20860.000 PLOG/ 0.0400 5.819E+026 -7.970 20860.0/ PLOG/ 1.0000 5.520E+034 -9.880 26230.0/ PLOG/ 10.0000 1.188E+034 -9.020 29210.0/ !REF:Lifshitz et al. 1983 C2H4O1-2=CH3+HCO 3.630E+13 0.000 57200.000 !REF:curran, fit to NIST database C2H4O1-2=CH3CHO 7.407E+12 0.000 53800.000 !REF:baldwin et al., j. chem. soc. faraday trans. 1, 80, 435 (1984) C2H4O1-2+OH=C2H3O1-2+H2O 1.780E+13 0.000 3610.000 C2H4O1-2+H=C2H3O1-2+H2 8.000E+13 0.000 9680.000 !REF:analogy with ethene C2H4O1-2+HO2=C2H3O1-2+H2O2 1.130E+13 0.000 30430.000 C2H4O1-2+CH3O2=C2H3O1-2+CH3O2H 1.130E+13 0.000 30430.000 C2H4O1-2+C2H5O2=C2H3O1-2+C2H5O2H 1.130E+13 0.000 30430.000 !REF:baldwin et al., j. chem. soc. faraday trans. 1, 80, 435 (1984) C2H4O1-2+CH3=C2H3O1-2+CH4 1.070E+12 0.000 11830.000 C2H4O1-2+CH3O=C2H3O1-2+CH3OH 1.200E+11 0.000 6750.000 C2H3O1-2=CH3CO 8.500E+14 0.000 14000.000 C2H3O1-2=CH2CHO 1.000E+14 0.000 14000.000 !REF:Sivaramakrishnan J. Phys. Chem. A, Vol 114, No. 2, 2010 CH3CHO(+M)=CH3+HCO(+M) 2.450E+22 -1.740 86355.000 LOW/ 1.030E+059 -11.300 95912.5/ TROE/ 2.490E-003 7.181E+002 6.089E+000 3.780E+003/ CH3CHO(+M)=CH4+CO(+M) 2.720E+21 -1.740 86355.000 LOW/ 1.144E+058 -11.300 95912.5/ TROE/ 2.490E-003 7.181E+002 6.089E+000 3.780E+003/ !REF:Harding J. Phys. Chem., Vol. 114, No. 2, 2010 CH3CHO+H=CH3CO+H2 1.310E+05 2.580 1220.000 CH3CHO+H=CH2CHO+H2 2.720E+03 3.100 5210.000 !REF:curran, fit to NIST database CH3CHO+O=CH3CO+OH 5.940E+12 0.000 1868.000 !REF:Juan Li's PhD thesis CH3CHO+OH=CH3CO+H2O 3.370E+12 0.000 -619.000 !REF:baulch et al., j. phys. chem. ref data, 21:411 (1992) CH3CHO+O2=CH3CO+HO2 3.010E+13 0.000 39150.000 !REF: Gupte et al.,Proc Combust Inst 31 (2007) 167ñ174 CH3CHO+CH3=CH3CO+CH4 7.080E-04 4.580 1966.000 !REF:baulch et al., j. phys. chem. ref data, 21:411 (1992) CH3CHO+HO2=CH3CO+H2O2 3.010E+12 0.000 11920.000 !REF:baulch et al., j. phys. chem. ref data, 21:411 (1992) CH3O2+CH3CHO=CH3O2H+CH3CO 3.010E+12 0.000 11920.000 CH3CHO+CH3CO3=CH3CO+CH3CO3H 3.010E+12 0.000 11920.000 !REF:Taylor et al. 1996 CH3CHO+OH=CH3+HOCHO 3.000E+15 -1.076 0.000 CH3CHO+OH=CH2CHO+H2O 1.720E+05 2.400 815.000 !REF:J. Phys. Chem. A 2006, 110, 5772-5781 CH3CO(+M)=CH3+CO(+M) 1.070E+12 0.630 16900.000 LOW/ 5.650E+018 -0.970 14600.0/ TROE/ 6.290E-001 8.730E+009 5.520E+000 7.600E+007/ !REF: CH3CO+H=CH2CO+H2 2.000E+13 0.000 0.000 CH3CO+O=CH2CO+OH 2.000E+13 0.000 0.000 CH3CO+CH3=CH2CO+CH4 5.000E+13 0.000 0.000 !REF: CH3CO+O2=CH3CO3 1.200E+11 0.000 -1100.000 CH3CO3+HO2=CH3CO3H+O2 1.750E+10 0.000 -3275.000 H2O2+CH3CO3=HO2+CH3CO3H 2.410E+12 0.000 9936.000 CH4+CH3CO3=CH3+CH3CO3H 1.810E+11 0.000 18480.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) !REF:analogy to ch3o2+ch2o CH2O+CH3CO3=HCO+CH3CO3H 1.990E+12 0.000 11660.000 !REF: analogy to c2h6+ho2 C2H6+CH3CO3=C2H5+CH3CO3H 1.700E+13 0.000 20460.000 !REF:Sahetchian et al. 1992 CH3CO3H=CH3CO2+OH 5.010E+14 0.000 40150.000 !REF:analogy to ch3co=ch3+co CH3CO2+M=CH3+CO2+M 4.400E+15 0.000 10500.000 !REF:J. Phys. Chem. A 2006, 110, 5772-5781 CH2CHO(+M)=CH2CO+H(+M) 1.430E+15 -0.150 45600.000 !REF:lpl times 2 LOW/ 6.000E+029 -3.800 43423.9/ TROE/ 9.850E-001 3.930E+002 9.800E+009 5.000E+009/ !REF:J. Phys. Chem. A 2006, 110, 5772-5781 CH2CHO(+M)=CH3+CO(+M) 2.930E+12 0.290 40300.000 LOW/ 9.520E+033 -5.070 41300.0/ TROE/ 7.130E-017 1.150E+003 4.990E+009 1.790E+009/ !REF:J. Lee, and J.W. Bozzelli. J. Phys. Chem. A, 2003, 107 (19), 3778-3791 CH2CHO+O2=O2CH2CHO 1.580E+77 -21.900 19350.000 PLOG/ 0.0100 1.580E+077 -21.900 19350.0/ PLOG/ 0.1000 3.880E+069 -18.840 19240.0/ PLOG/ 1.0000 7.800E+059 -15.400 17650.0/ PLOG/ 10.0000 3.050E+050 -12.200 15630.0/ CH2CHO+O2=CH2CO+HO2 1.880E+05 2.370 23730.000 PLOG/ 0.0100 1.880E+005 2.370 23730.0/ PLOG/ 0.1000 1.880E+005 2.370 27370.0/ PLOG/ 1.0000 2.510E+005 2.330 23800.0/ PLOG/ 10.0000 7.050E+007 1.630 25290.0/ CH2CHO+O2=>CH2O+CO+OH 2.680E+17 -1.840 6530.000 PLOG/ 0.0100 2.680E+017 -1.840 6530.0/ PLOG/ 0.1000 1.520E+020 -2.580 8980.0/ PLOG/ 1.0000 1.650E+019 -2.220 10340.0/ PLOG/ 10.0000 8.953E+013 -0.600 10120.0/ CH2CHO+O2=HO2CH2CO 3.640E+65 -21.870 19020.000 PLOG/ 0.0100 3.640E+065 -21.870 19020.0/ PLOG/ 0.1000 3.640E+058 -19.000 19090.0/ PLOG/ 1.0000 6.650E+048 -15.550 17460.0/ PLOG/ 10.0000 4.800E+038 -12.140 14960.0/ O2CH2CHO=HO2CH2CO 8.270E+30 -6.650 24500.000 PLOG/ 0.0100 8.270E+030 -6.650 24500.0/ PLOG/ 0.1000 1.730E+026 -4.990 23760.0/ PLOG/ 1.0000 9.030E+019 -2.920 22170.0/ PLOG/ 10.0000 1.430E+016 -1.670 21210.0/ O2CH2CHO=CH2CO+HO2 2.050E+40 -13.310 52150.000 PLOG/ 0.0100 2.050E+040 -13.310 52150.0/ PLOG/ 0.1000 5.720E+045 -14.000 52200.0/ PLOG/ 1.0000 4.160E+055 -15.760 55080.0/ PLOG/ 10.0000 1.120E+061 -16.040 60010.0/ HO2CH2CO=>CO+CH2O+OH 2.360E+17 -2.950 8100.000 PLOG/ 0.0100 2.360E+017 -2.950 8100.0/ PLOG/ 0.1000 2.380E+018 -2.950 8100.0/ PLOG/ 1.0000 2.510E+019 -2.950 8110.0/ PLOG/ 10.0000 4.160E+020 -3.020 8240.0/ HO2CH2CO=CH2CO+HO2 1.120E+07 -3.760 21680.000 PLOG/ 0.0100 1.120E+007 -3.760 21680.0/ PLOG/ 0.1000 1.100E+008 -3.760 21680.0/ PLOG/ 1.0000 9.200E+008 -3.730 21630.0/ PLOG/ 10.0000 2.090E+009 -3.550 21220.0/ !REF:laskin et al. ijck 32 589-614 2000 CH2+CO(+M)=CH2CO(+M) 8.100E+11 0.000 0.000 LOW/ 2.690E+033 -5.110 7095.0/ TROE/ 5.907E-001 2.750E+002 1.226E+003 5.185E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ !REF:J. Phys. Chem. A 2006, 110, 5772-5781 !REF:defined in the reverse from SJK, P dependence from CHEMDIS !REF:important for acetone flame speeds CH3CO(+M)=CH2CO+H(+M) 9.413E+07 1.917 44987.200 LOW/ 1.516E+051 -10.270 55390.0/ TROE/ 6.009E-001 8.103E+009 6.677E+002 5.000E+009/ !REF:wkm (see comments at beginning of file 15/ 09/ 2011 CH2CO+H=HCCO+H2 1.401E+15 -0.171 8783.200 CH2CO+H=CH3+CO 7.704E+13 -0.171 4183.200 !REF:Curran estimate CH2CO+O=CH2+CO2 1.750E+12 0.000 1350.000 !REF: CH2CO+O=HCCO+OH 1.000E+13 0.000 8000.000 CH2CO+OH=HCCO+H2O 1.000E+13 0.000 2000.000 !REF:Brown et al. Chem. Phys. Lett. 1989, 161, 491. CH2CO+OH=CH2OH+CO 2.000E+12 0.000 -1010.000 !REF:WKM calculation, chemically activated, appears pressure independant CH2CO+CH3=C2H5+CO 4.769E+04 2.312 9468.000 CH2(S)+CH2CO=C2H4+CO 1.600E+14 0.000 0.000 HCCO+OH=>H2+CO+CO 1.000E+14 0.000 0.000 HCCO+O=>H+CO+CO 8.000E+13 0.000 0.000 !REF:GRI HCCO+H=CH2(S)+CO 1.000E+14 0.000 0.000 !REF:klippenstein 2002 HCCO+O2=>OH+CO+CO 1.910E+11 -0.020 1020.000 HCCO+O2=>CO2+CO+H 4.780E+12 -0.142 1150.000 !REF:Fulle, D.; Hippler, H.; Striebel, F. !REF:J. Chem. Phys. 108: 6709-6716 1998 CH+CO+M=HCCO+M 7.570E+22 -1.900 0.000 !REF:REG 2.11 CH+CH2O=H+CH2CO 9.460E+13 0.000 -515.000 CH+HCCO=CO+C2H2 5.000E+13 0.000 0.000 !REF:GRI 3.0 C2H3+H(+M)=C2H4(+M) 6.080E+12 0.270 280.000 LOW/ 1.400E+030 -3.860 3320.0/ TROE/ 7.820E-001 2.075E+002 2.663E+003 6.095E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ !REF:GRI C2H4(+M)=H2+H2CC(+M) 8.000E+12 0.440 88770.000 LOW/ 7.000E+050 -9.310 99860.0/ TROE/ 7.345E-001 1.800E+002 1.035E+003 5.417E+003/ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/ !REF:Knyazev,V.D. et al.,J. Phys. Chem. 100, 11346-1135 (1996) C2H4+H=C2H3+H2 5.070E+07 1.930 12950.000 !REF:baulch et al. !REF:journal of physical and chemical reference data: !REF:34, 3, 757-1397 2005 !REF:making branching ratio 55:45 C2H4+O=CH3+HCO 7.453E+06 1.880 183.000 C2H4+O=CH2CHO+H 6.098E+06 1.880 183.000 !REF:j. phys. chem 109 2005 7489-7499 (Peeters) !REF: from stanford C2H4+OH=C2H3+H2O 2.230E+04 2.745 2215.500 !REF:SJK, j phys chem 110 2006 6960-6970 C2H4+OH=CH3+CH2O 5.350E+00 2.920 -1732.700 PLOG/ 0.0100 5.350E+000 2.920 -1732.7/ PLOG/ 0.0250 3.190E+001 2.710 -1172.3/ PLOG/ 0.1000 5.550E+002 2.360 -180.8/ PLOG/ 1.0000 1.780E+005 1.680 2060.5/ PLOG/ 10.0000 2.370E+009 0.560 6006.7/ PLOG/ 100.0000 2.760E+013 -0.500 11455.1/ C2H4+OH=CH3CHO+H 2.370E-07 5.300 -2050.600 PLOG/ 0.0100 2.370E-007 5.300 -2050.6/ PLOG/ 0.0250 8.730E-005 4.570 -618.0/ PLOG/ 0.1000 4.030E-001 3.540 1881.7/ PLOG/ 1.0000 2.380E-002 3.910 1722.7/ PLOG/ 10.0000 8.250E+008 1.010 10507.3/ PLOG/ 100.0000 6.800E+009 0.810 13867.3/ C2H4+OH=C2H3OH+H 1.040E+04 2.600 4121.000 PLOG/ 0.0100 1.040E+004 2.600 4121.0/ PLOG/ 0.0250 1.070E+004 2.600 4129.0/ PLOG/ 0.1000 1.520E+004 2.560 4238.3/ PLOG/ 1.0000 3.190E+005 2.190 5255.6/ PLOG/ 10.0000 1.940E+008 1.430 7828.8/ PLOG/ 100.0000 8.550E+010 0.750 11490.8/ C2H4+OH=PC2H4OH 1.740E+43 -10.461 7698.700 PLOG/ 0.0100 1.740E+043 -10.461 7698.7/ PLOG/ 0.0250 3.250E+037 -8.629 5214.7/ PLOG/ 0.1000 1.840E+035 -7.750 4908.9/ PLOG/ 1.0000 2.560E+036 -7.752 6946.1/ PLOG/ 10.0000 3.700E+033 -6.573 7605.9/ PLOG/ 100.0000 1.120E+026 -4.101 5757.0/ !REF:ethenol chemistry from Curran/ yasunaga C2H3OH+O2=CH2CHO+HO2 5.310E+11 0.210 39830.000 C2H3OH+O=CH2CHO+OH 1.875E+06 1.900 -860.000 C2H3OH+OH=CH2CHO+H2O 3.330E+09 1.100 540.500 C2H3OH+CH3=CH2CHO+CH4 2.030E-08 5.900 1052.000 C2H3OH+CH3O2=CH2CHO+CH3O2H 3.400E+03 2.500 8922.000 !REF:Enol+h Rao |J. Phys. Chem. A 2011, 115, 1602-1608, !REF:Except for sc2h4oh channel kept WKM calculation C2H3OH+H=CH2CHO+H2 1.480E+03 3.077 7220.000 C2H3OH+H=C2H2OH+H2 2.470E+07 2.030 15200.000 C2H3OH+H=PC2H4OH 3.010E+08 1.577 3670.000 !REF:da Silva Bozzelli Chemical Physics Letters 483 (2009) 25-29 C2H3OH+HO2=CH3CHO+HO2 1.490E+05 1.670 6810.000 !REF:Ju-Xiang Shao Theor Chem Acc (2011) 128:341-348 !REF:changed products from ch3+hco C2H3OH=CH3CHO 7.420E+46 -10.560 67420.000 PLOG/ 0.1000 7.420E+046 -10.560 67420.0/ PLOG/ 1.0000 4.420E+042 -9.090 67069.2/ PLOG/ 100.0000 2.900E+027 -4.350 61612.9/ !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) !C2H4+CH3=C2H3+CH4 6.620E+000 3.700 9500.0 ! SSM: Refited using NIST data (need to be further evaluated) C2H4+CH3=C2H3+CH4 6.020E+07 1.560 16630.000 !REF:wkm 19/ 04/ 2010 !REF:taken from san diego mech !REF: marinov, 1995 !REF:check effect!!!!! C2H4+O2=C2H3+HO2 4.220E+13 0.000 57623.100 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) C2H4+CH3O=C2H3+CH3OH 1.200E+11 0.000 6750.000 !REF:wkm 22/ 04/ 2010 !REF:from bill pitz's suggestion C2H4+CH3O2=C2H3+CH3O2H 8.590E+00 3.754 27132.000 !REF:wkm 22/ 04/ 2010 !REF:from bill pitz's suggestion C2H4+C2H5O2=C2H3+C2H5O2H 8.590E+00 3.754 27132.000 !REF:baulch et al., j. phys. chem. ref data, 21:411 (1992) C2H4+CH3CO3=C2H3+CH3CO3H 1.130E+13 0.000 30430.000 !REF:Pitz estimate C2H4+CH3O2=C2H4O1-2+CH3O 2.820E+12 0.000 17110.000 C2H4+C2H5O2=C2H4O1-2+C2H5O 2.820E+12 0.000 17110.000 !REF:baulch and cobos reduced by a factor of 4 C2H4+HO2=C2H4O1-2+OH 5.575E+11 0.000 17190.000 !REF:butler, fleming, goss, lin, acs symp. ser. 134 (1980). CH+CH4=C2H4+H 6.000E+13 0.000 0.000 !REF:Marinov estimate. CH2(S)+CH3=C2H4+H 2.000E+13 0.000 0.000 !REF:miller klippenstein pccp 2004, 6, 1192-1202 C2H2+H(+M)=C2H3(+M) 1.710E+10 1.266 2709.000 LOW/ 6.346E+031 -4.664 3780.0/ TROE/ 7.880E-001 -1.020E+004 1.000E-030/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ !REF:N.M Marinov et al., Combust. Flame 114 (1998) 192-213 !REF:Adopting Klippenstein's products for one of the channels, !REF:to combat over-production of c2h2 in ethylene JSR C2H3+O2=CH2O+HCO 1.700E+29 -5.312 6503.100 C2H3+O2=CH2CHO+O 7.000E+14 -0.611 5262.400 C2H3+O2=>H+CO+CH2O 5.190E+15 -1.260 3312.600 !REF: CH3+C2H3=CH4+C2H2 3.920E+11 0.000 0.000 !REF:86TSA/ HAM C2H3+H=C2H2+H2 9.000E+13 0.000 0.000 !REF:USC estimate C2H3+H=H2CC+H2 6.000E+13 0.000 0.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) C2H3+OH=C2H2+H2O 3.011E+13 0.000 0.000 C2H3+C2H3=C2H2+C2H4 9.600E+11 0.000 0.000 !REF: GRI 3.0 C2H+H(+M)=C2H2(+M) 1.000E+17 0.000 0.000 LOW/ 3.750E+033 -4.800 1900.0/ TROE/ 6.460E-001 1.320E+002 1.315E+003 5.566E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ !REF:GRI C2H+O=CH+CO 5.000E+13 0.000 0.000 C2H+OH=H+HCCO 2.000E+13 0.000 0.000 C2H+O2=HCO+CO 5.000E+13 0.000 1500.000 C2H+H2=H+C2H2 4.900E+05 2.500 560.000 !REF:99 Las/ Wan C2H2(+M)=H2CC(+M) 8.000E+14 -0.520 50750.000 LOW/ 2.450E+015 -0.640 49700.0/ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ C2H2/ 2.50/ C2H4/ 2.50/ !REF:Nguyen et al. j.phys.chem a 2006, 110, 6696-6706 C2H2+O=CH2+CO 7.395E+08 1.280 2472.000 C2H2+O=HCCO+H 2.958E+09 1.280 2472.000 !REF:SJK j. phys. chem a 2005, 109, 6045-6055 C2H2+OH=C2H+H2O 2.632E+06 2.140 17060.000 C2H2+OH=HCCOH+H 2.800E+05 2.280 12420.000 PLOG/ 0.0100 2.800E+005 2.280 12420.0/ PLOG/ 0.0250 7.467E+005 2.160 12550.0/ PLOG/ 0.1000 1.776E+006 2.040 12670.0/ PLOG/ 1.0000 2.415E+006 2.000 12710.0/ PLOG/ 10.0000 3.210E+006 1.970 12810.0/ PLOG/ 100.0000 7.347E+006 1.890 13600.0/ C2H2+OH=CH2CO+H 1.578E+03 2.560 -844.500 PLOG/ 0.0100 1.578E+003 2.560 -844.5/ PLOG/ 0.0250 1.518E+004 2.280 -292.1/ PLOG/ 0.1000 3.017E+005 1.920 598.1/ PLOG/ 1.0000 7.528E+006 1.550 2106.0/ PLOG/ 10.0000 5.101E+006 1.650 3400.0/ PLOG/ 100.0000 1.457E+004 2.450 4477.0/ C2H2+OH=CH3+CO 4.757E+05 1.680 -329.800 PLOG/ 0.0100 4.757E+005 1.680 -329.8/ PLOG/ 0.0250 4.372E+006 1.400 226.5/ PLOG/ 0.1000 7.648E+007 1.050 1115.0/ PLOG/ 1.0000 1.277E+009 0.730 2579.0/ PLOG/ 10.0000 4.312E+008 0.920 3736.0/ PLOG/ 100.0000 8.250E+005 1.770 4697.0/ C2H2+OH=C2H2OH 3.913E+32 -7.126 5824.000 PLOG/ 0.0100 3.913E+032 -7.126 5824.0/ PLOG/ 0.0250 1.067E+032 -6.847 5508.0/ PLOG/ 0.1000 1.646E+032 -6.717 5822.0/ PLOG/ 1.0000 1.387E+031 -6.087 6348.0/ PLOG/ 10.0000 2.892E+029 -5.288 7055.0/ PLOG/ 100.0000 1.367E+025 -3.754 6543.0/ !REF:GRI 3.0 and USC II C2H2+HCO=C2H3+CO 1.000E+07 2.000 6000.000 C2H2+CH2=C3H3+H 1.200E+13 0.000 6620.000 C2H2+CH2(S)=C3H3+H 2.000E+13 0.000 0.000 C2H2+HCCO=C3H3+CO 1.000E+11 0.000 3000.000 H2CC+H=C2H2+H 1.000E+14 0.000 0.000 H2CC+OH=CH2CO+H 2.000E+13 0.000 0.000 H2CC+O2=HCO+HCO 1.000E+13 0.000 0.000 !REF:GRI 2.11 H+HCCOH=H+CH2CO 1.000E+13 0.000 0.000 !REF:sivaramakrishnan J. Phys. Chem. A, Vol. 114, No. 35, 2010 C2H5OH=C2H4+H2O 3.410E+59 -14.200 83672.600 PLOG/ 0.0010 3.410E+059 -14.200 83672.6/ PLOG/ 0.0100 2.620E+057 -13.300 85262.2/ PLOG/ 0.1000 1.650E+052 -11.500 84745.6/ PLOG/ 1.0000 5.230E+043 -8.900 81506.7/ PLOG/ 10.0000 4.590E+032 -5.600 76062.4/ PLOG/ 100.0000 3.840E+020 -2.060 69465.5/ C2H5OH=CH3+CH2OH 1.200E+54 -12.900 100005.700 PLOG/ 0.0010 1.200E+054 -12.900 100005.7/ PLOG/ 0.0100 5.180E+059 -14.000 99906.4/ PLOG/ 0.1000 1.620E+066 -15.300 105390.5/ PLOG/ 1.0000 5.550E+064 -14.500 106183.0/ PLOG/ 10.0000 1.550E+058 -12.300 105768.0/ PLOG/ 100.0000 1.780E+047 -8.960 101058.8/ C2H5OH=C2H5+OH 8.100E+46 -11.300 111053.400 PLOG/ 0.0010 8.100E+046 -11.300 111053.4/ PLOG/ 0.0100 1.860E+056 -13.500 107238.4/ PLOG/ 0.1000 4.650E+063 -15.000 109622.8/ PLOG/ 1.0000 4.460E+065 -14.900 112345.0/ PLOG/ 10.0000 2.790E+061 -13.400 113080.2/ PLOG/ 100.0000 6.170E+051 -10.300 109940.7/ C2H5OH+O2=PC2H4OH+HO2 2.000E+13 0.000 52800.000 C2H5OH+O2=SC2H4OH+HO2 1.500E+13 0.000 50150.000 !REF:sivaramakrishnan J. Phys. Chem. A, Vol. 114, No. 35, 2010 C2H5OH+H=SC2H4OH+H2 8.790E+04 2.680 2910.000 C2H5OH+H=PC2H4OH+H2 5.310E+04 2.810 7490.000 C2H5OH+H=C2H5O+H2 9.450E+02 3.140 8701.100 C2H5OH+OH=SC2H4OH+H2O 7.170E+04 2.540 -1534.000 C2H5OH+OH=PC2H4OH+H2O 5.700E+00 3.380 -2394.300 C2H5OH+OH=C2H5O+H2O 5.810E-03 4.280 -3560.000 !REF:Estimated from CW Zhou butanol+oh C2H5OH+HO2=SC2H4OH+H2O2 3.500E-05 5.260 7475.100 C2H5OH+HO2=PC2H4OH+H2O2 3.986E-02 4.300 15333.000 C2H5OH+HO2=C2H5O+H2O2 6.470E-07 5.300 10533.100 !REF:Anaolgy with c2h5oh+ho2 C2H5OH+CH3O2=PC2H4OH+CH3O2H 1.230E+04 2.550 15750.000 C2H5OH+CH3O2=SC2H4OH+CH3O2H 8.200E+03 2.550 10750.000 C2H5OH+CH3O2=C2H5O+CH3O2H 2.500E+12 0.000 24000.000 !REF:wu et al., J. Phys. Chem. A 2007, 111, 6693-6703 C2H5OH+O=PC2H4OH+OH 9.690E+02 3.230 4658.000 C2H5OH+O=SC2H4OH+OH 1.450E+05 2.470 876.000 C2H5OH+O=C2H5O+OH 1.460E-03 4.730 1727.000 !REF:Xu, Z.F. et al., J. Chem. Phys. 120,6593-6599, 2004 C2H5OH+CH3=PC2H4OH+CH4 3.300E+02 3.300 12290.000 C2H5OH+CH3=SC2H4OH+CH4 1.993E+01 3.370 7634.000 C2H5OH+CH3=C2H5O+CH4 2.035E+00 3.570 7721.000 !REF:1/ 2 of c4h10+c2h5 C2H5OH+C2H5=PC2H4OH+C2H6 5.000E+10 0.000 13400.000 !REF:estimate C2H5OH+C2H5=SC2H4OH+C2H6 5.000E+10 0.000 10400.000 !REF:curran, fit to NIST database !REF:WKM calculation. SC2H4OH=CH3CHO+H 5.690E+52 -13.380 45049.000 PLOG/ 0.0010 5.690E+052 -13.380 45049.0/ PLOG/ 0.0100 3.290E+056 -14.120 48129.0/ PLOG/ 0.1000 8.580E+057 -14.160 50743.0/ PLOG/ 1.0000 5.360E+055 -13.150 51886.0/ PLOG/ 10.0000 1.660E+048 -10.640 50297.0/ PLOG/ 20.0000 8.260E+044 -9.590 49218.0/ PLOG/ 50.0000 1.010E+040 -8.060 47439.0/ PLOG/ 100.0000 1.100E+036 -6.840 45899.0/ SC2H4OH=C2H3OH+H 5.400E+46 -11.630 44323.000 PLOG/ 0.0010 5.400E+046 -11.630 44323.0/ PLOG/ 0.0100 1.210E+051 -12.550 47240.0/ PLOG/ 0.1000 2.870E+054 -13.150 50702.0/ PLOG/ 1.0000 3.790E+053 -12.510 52560.0/ PLOG/ 10.0000 6.330E+046 -10.200 51441.0/ PLOG/ 20.0000 3.870E+043 -9.170 50440.0/ PLOG/ 50.0000 5.080E+038 -7.650 48713.0/ PLOG/ 100.0000 5.120E+034 -6.410 47182.0/ SC2H4OH=C2H5O 5.480E+45 -11.630 44328.000 PLOG/ 0.0010 5.480E+045 -11.630 44328.0/ PLOG/ 0.0100 2.540E+049 -12.370 46445.0/ PLOG/ 0.1000 1.650E+054 -13.400 50330.0/ PLOG/ 1.0000 1.810E+055 -13.310 53132.0/ PLOG/ 10.0000 4.580E+049 -11.320 52714.0/ PLOG/ 20.0000 4.110E+046 -10.330 51834.0/ PLOG/ 50.0000 6.680E+041 -8.830 50202.0/ PLOG/ 100.0000 6.540E+037 -7.580 48697.0/ SC2H4OH=PC2H4OH 2.650E+36 -8.860 51019.000 PLOG/ 0.0010 2.650E+036 -8.860 51019.0/ PLOG/ 0.0100 3.560E+037 -8.890 51114.0/ PLOG/ 0.1000 4.140E+039 -9.190 51912.0/ PLOG/ 1.0000 5.820E+044 -10.340 55296.0/ PLOG/ 10.0000 4.260E+048 -11.060 59458.0/ PLOG/ 20.0000 8.840E+047 -10.740 59901.0/ PLOG/ 50.0000 2.230E+045 -9.840 59604.0/ PLOG/ 100.0000 1.700E+042 -8.830 58737.0/ !REF:based on c3h6oh+o2 reaction O2C2H4OH=PC2H4OH+O2 3.900E+16 -1.000 30000.000 !REF: O2C2H4OH=>OH+CH2O+CH2O 3.125E+09 0.000 18900.000 !REF:da silva J. Phys. Chem. A 2009, 113, 8923-8933 SC2H4OH+O2=CH3CHO+HO2 5.260E+17 -1.638 869.000 PLOG/ 0.0100 5.260E+017 -1.637 838.0/ PLOG/ 0.1000 5.260E+017 -1.637 838.0/ PLOG/ 1.0000 5.280E+017 -1.638 839.0/ PLOG/ 10.0000 1.540E+018 -1.771 1120.0/ PLOG/ 100.0000 3.780E+020 -2.429 3090.0/ SC2H4OH+O2=C2H3OH+HO2 5.512E+03 2.495 -414.000 PLOG/ 0.0100 5.120E+002 2.496 -414.0/ PLOG/ 0.1000 5.330E+002 2.490 -402.0/ PLOG/ 1.0000 7.620E+002 2.446 -296.0/ PLOG/ 10.0000 8.920E+003 2.146 470.0/ PLOG/ 100.0000 4.380E+005 1.699 2330.0/ !REF: Saxena et al. proceedings. 32 123-130 (2009) CH3COCH3=CH3CO+CH3 2.050E+58 -12.796 100030.100 PLOG/ 0.0100 2.050E+058 -12.796 100030.1/ PLOG/ 0.1000 3.300E+051 -10.574 98221.2/ PLOG/ 1.0000 1.310E+042 -7.657 94660.6/ PLOG/ 10.0000 2.160E+033 -4.989 90916.5/ PLOG/ 100.0000 9.400E+028 -3.669 89022.8/ !REF:estimate CH3COCH3+OH=CH3COCH2+H2O 1.250E+05 2.483 445.000 !REF:Curran estimate CH3COCH3+H=CH3COCH2+H2 9.800E+05 2.430 5160.000 !REF:fit to data on NIST Standard Reference Database 17 -2Q98 CH3COCH3+O=CH3COCH2+OH 5.130E+11 0.211 4890.000 !REF: CH3COCH3+CH3=CH3COCH2+CH4 3.960E+11 0.000 9784.000 !REF:estimate CH3COCH3+CH3O=CH3COCH2+CH3OH 4.340E+11 0.000 6460.000 !REF:A-factor by analogy with c2h6+o2 and Ea from DHrxn CH3COCH3+O2=CH3COCH2+HO2 6.030E+13 0.000 48500.000 !REF:analogy to ethane CH3COCH3+HO2=CH3COCH2+H2O2 1.700E+13 0.000 20460.000 CH3COCH3+CH3O2=CH3COCH2+CH3O2H 1.700E+13 0.000 20460.000 !REF:WJP: based on ch3+c2h4 addition, Curran IJCK 2006 CH2CO+CH3=CH3COCH2 1.760E+04 2.480 6130.000 !REF: CH3COCH2+O2=CH3COCH2O2 1.200E+11 0.000 -1100.000 !REF:westbrook estimate CH3COCH3+CH3COCH2O2=CH3COCH2+C3KET21 1.000E+11 0.000 5000.000 CH2O+CH3COCH2O2=HCO+C3KET21 1.288E+11 0.000 9000.000 HO2+CH3COCH2O2=C3KET21+O2 1.000E+12 0.000 0.000 !REF:estimate C2H3+HCO=C2H3CHO 1.810E+13 0.000 0.000 !REF:based on ch3cho+h C2H3CHO+H=C2H3CO+H2 1.340E+13 0.000 3300.000 C2H3CHO+O=C2H3CO+OH 5.940E+12 0.000 1868.000 !REF:Taylor et al. 1996 C2H3CHO+OH=C2H3CO+H2O 9.240E+06 1.500 -962.000 C2H3CHO+O2=C2H3CO+HO2 1.005E+13 0.000 40700.000 !REF:Based on ch3cho+ho2 C2H3CHO+HO2=C2H3CO+H2O2 3.010E+12 0.000 11920.000 C2H3CHO+CH3=C2H3CO+CH4 2.608E+06 1.780 5911.000 !REF:analogy with acetaldehyde. C2H3CHO+C2H3=C2H3CO+C2H4 1.740E+12 0.000 8440.000 !REF:analogy with ch3cho+ch3o C2H3CHO+CH3O=C2H3CO+CH3OH 1.000E+12 0.000 3300.000 !REF:based on ch3cho+ho2 C2H3CHO+CH3O2=C2H3CO+CH3O2H 3.010E+12 0.000 11920.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) C2H3+CO=C2H3CO 1.510E+11 0.000 4810.000 !REF: C2H5+HCO=C2H5CHO 1.810E+13 0.000 0.000 !REF:analogy with ch3cho+h C2H5CHO+H=C2H5CO+H2 4.000E+13 0.000 4200.000 !REF:analogy with ch3cho+o C2H5CHO+O=C2H5CO+OH 5.000E+12 0.000 1790.000 !REF:Estimate C2H5CHO+OH=C2H5CO+H2O 2.690E+10 0.760 -340.000 !REF:fit to data on NIST Standard Reference Database 17 -2Q98 C2H5CHO+CH3=C2H5CO+CH4 2.608E+06 1.780 5911.000 !REF:analogy with ch3cho+ho2 C2H5CHO+HO2=C2H5CO+H2O2 2.800E+12 0.000 13600.000 !REF:!analogy with ch3cho+ch3o C2H5CHO+CH3O=C2H5CO+CH3OH 1.000E+12 0.000 3300.000 !REF:analogy with ch3cho+ho2 C2H5CHO+CH3O2=C2H5CO+CH3O2H 3.010E+12 0.000 11920.000 !REF:acetaldehyde analog C2H5CHO+C2H5=C2H5CO+C2H6 1.000E+12 0.000 8000.000 C2H5CHO+C2H5O=C2H5CO+C2H5OH 6.026E+11 0.000 3300.000 !REF:Based on ch3cho+ho2 C2H5CHO+C2H5O2=C2H5CO+C2H5O2H 3.010E+12 0.000 11920.000 !REF:Estimate C2H5CHO+O2=C2H5CO+HO2 1.005E+13 0.000 40700.000 !REF:Based on ch3cho+ho2 C2H5CHO+CH3CO3=C2H5CO+CH3CO3H 3.010E+12 0.000 11920.000 !REF:!Analogy with acetaldehyde C2H5CHO+C2H3=C2H5CO+C2H4 1.700E+12 0.000 8440.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) C2H5+CO=C2H5CO 1.510E+11 0.000 4810.000 !REF:Cook et al. j. phys. chem a 2009, 113, 9974-9980 CH3OCH3(+M)=CH3+CH3O(+M) 4.380E+21 -1.570 83890.000 LOW/ 7.520E+015 0.000 42790.0/ TROE/ 4.540E-001 1.000E-030 2.510E+003/ !REF:Arif M, et al., J. PHYS. CHEM. A, 101, 13, 2436-2441 (1997). CH3OCH3+CH3O2=CH3OCH2+CH3O2H 3.120E+02 3.120 13190.000 !REF: CH3OCH3+CH3OCH2O2=CH3OCH2+CH3OCH2O2H 5.000E+12 0.000 17690.000 CH3OCH3+O2CHO=CH3OCH2+HO2CHO 4.425E+04 2.600 13910.000 CH3OCH2+CH3O=CH3OCH3+CH2O 2.410E+13 0.000 0.000 CH3OCH2+CH2O=CH3OCH3+HCO 5.490E+03 2.800 5862.000 CH3OCH2+CH3CHO=CH3OCH3+CH3CO 1.260E+12 0.000 8499.000 CH3OCH2O2+CH2O=CH3OCH2O2H+HCO 1.000E+12 0.000 11660.000 !REF:Estimate CH3OCH2O2+CH3CHO=CH3OCH2O2H+CH3CO 2.800E+12 0.000 13600.000 CH3OCH2O+O2=CH3OCHO+HO2 5.000E+10 0.000 500.000 !REF: !REF:Estimate Ea equals deltaH+RS+Eabs CH2OCHO+H=CH3OCHO 1.000E+14 0.000 0.000 CH3OCO+H=CH3OCHO 1.000E+14 0.000 0.000 !REF:Estimate !REF:Fisher, E.M. et al., Proc. Comb. Inst., Vol. 28, 2000. CH3O+HCO=CH3OCHO 3.000E+13 0.000 0.000 !REF:Estimate CH3+OCHO=CH3OCHO 1.000E+13 0.000 0.000 CH3OCHO+CH3O2=CH3OCO+CH3O2H 4.820E+03 2.600 13910.000 CH3OCHO+CH3O2=CH2OCHO+CH3O2H 2.380E+04 2.550 16490.000 !REF:c3h8+hco !REF:Tsang, W. J. Phys. Chem. Ref. Data 17, 887 (1988) !REF:Pierre Glaude's rates C3H8(+M)=CH3+C2H5(+M) 1.290E+37 -5.840 97380.000 LOW/ 5.640E+074 -15.740 98714.0/ TROE/ 3.100E-001 5.000E+001 3.000E+003 9.000E+003/ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/ !REF:Estimate NC3H7+H=C3H8 1.000E+14 0.000 0.000 !REF:Estimate IC3H7+H=C3H8 1.000E+14 0.000 0.000 !REF: C3H8+O2=IC3H7+HO2 2.000E+13 0.000 49640.000 C3H8+O2=NC3H7+HO2 6.000E+13 0.000 52290.000 H+C3H8=H2+IC3H7 1.300E+06 2.400 4471.000 H+C3H8=H2+NC3H7 3.490E+05 2.690 6450.000 C3H8+O=IC3H7+OH 5.490E+05 2.500 3140.000 C3H8+O=NC3H7+OH 3.710E+06 2.400 5505.000 C3H8+OH=NC3H7+H2O 1.054E+10 0.970 1586.000 C3H8+OH=IC3H7+H2O 4.670E+07 1.610 -35.000 !REF:J. Aguilera-Iparraguirre et al. J Phys Chem A (2008) 112(30): 7047-7054. C3H8+HO2=IC3H7+H2O2 6.320E+01 3.370 13720.000 C3H8+HO2=NC3H7+H2O2 4.080E+01 3.590 17160.000 !REF:fit to Nist database CH3+C3H8=CH4+IC3H7 6.400E+04 2.170 7520.000 !REF:Tsang, W. J. Phys. Chem. Ref. Data 17, 887 (1988) CH3+C3H8=CH4+NC3H7 9.040E-01 3.650 7154.000 !REF:From hautman, d. j., santoro, r. j., dryer, f. l., !REF:and glassman, i., to be published. IC3H7+C3H8=NC3H7+C3H8 3.000E+10 0.000 12900.000 C2H3+C3H8=C2H4+IC3H7 1.000E+11 0.000 10400.000 C2H3+C3H8=C2H4+NC3H7 1.000E+11 0.000 10400.000 C2H5+C3H8=C2H6+IC3H7 1.000E+11 0.000 10400.000 C2H5+C3H8=C2H6+NC3H7 1.000E+11 0.000 10400.000 !REF:Dagaut et al., CST 71, 111(1990) C3H8+C3H5-A=NC3H7+C3H6 7.940E+11 0.000 20500.000 C3H8+C3H5-A=IC3H7+C3H6 7.940E+11 0.000 16200.000 !REF:Dryer estimate C3H8+CH3O=NC3H7+CH3OH 3.000E+11 0.000 7000.000 C3H8+CH3O=IC3H7+CH3OH 3.000E+11 0.000 7000.000 !REF:J. Aguilera-Iparraguirre et al. J Phys Chem A (2008) 112(30): 7047-7054. !REF:Scaled as per carstensen et al CH3O2+C3H8=CH3O2H+NC3H7 1.386E+00 3.970 18280.000 CH3O2+C3H8=CH3O2H+IC3H7 1.019E+01 3.580 14810.000 C2H5O2+C3H8=C2H5O2H+NC3H7 1.386E+00 3.970 18280.000 C2H5O2+C3H8=C2H5O2H+IC3H7 1.019E+01 3.580 14810.000 !REF:analogy to c2h6+ho2 NC3H7O2+C3H8=NC3H7O2H+NC3H7 1.700E+13 0.000 20460.000 !REF:walker, r. w., reaction kinetics, !REF:vol. 1, s. p. r. chemical society, 1975 NC3H7O2+C3H8=NC3H7O2H+IC3H7 2.000E+12 0.000 17000.000 !REF:analogy to c2h6+ho2 IC3H7O2+C3H8=IC3H7O2H+NC3H7 1.700E+13 0.000 20460.000 !REF:walker, r. w., reaction kinetics, !REF:vol. 1, s. p. r. chemical society, 1975 IC3H7O2+C3H8=IC3H7O2H+IC3H7 2.000E+12 0.000 17000.000 C3H8+CH3CO3=IC3H7+CH3CO3H 2.000E+12 0.000 17000.000 !REF:analogy to c2h6+ho2 C3H8+CH3CO3=NC3H7+CH3CO3H 1.700E+13 0.000 20460.000 C3H8+O2CHO=NC3H7+HO2CHO 5.520E+04 2.550 16480.000 C3H8+O2CHO=IC3H7+HO2CHO 1.475E+04 2.600 13910.000 !REF:Curran Inc. Int J Chem Kinet 38: 250ñ275, 2006 H+C3H6=IC3H7 4.240E+11 0.510 1230.000 !REF:Glaude,P.A. et al,Proc. combust. inst IC3H7+H=C2H5+CH3 2.000E+13 0.000 0.000 IC3H7+O2=C3H6+HO2 4.500E-19 0.000 5020.000 !REF:Tsang, W. J. Phys. Chem. Ref. Data 17, 887 (1988) IC3H7+OH=C3H6+H2O 2.410E+13 0.000 0.000 IC3H7+O=CH3COCH3+H 4.818E+13 0.000 0.000 IC3H7+O=CH3CHO+CH3 4.818E+13 0.000 0.000 !REF:ref:Curran Inc. Int J Chem Kinet 38: 250ñ275, 2006 CH3+C2H4=NC3H7 1.760E+04 2.480 6130.000 H+C3H6=NC3H7 2.500E+11 0.510 2620.000 NC3H7+O2=C3H6+HO2 3.000E-19 0.000 3000.000 !REF:analogy with acetaldehyde C2H5CHO+NC3H7=C2H5CO+C3H8 1.700E+12 0.000 8440.000 C2H5CHO+IC3H7=C2H5CO+C3H8 1.700E+12 0.000 8440.000 C2H5CHO+C3H5-A=C2H5CO+C3H6 1.700E+12 0.000 8440.000 !REF:laskin et al. ijck 32 589-614 2000 C2H3+CH3(+M)=C3H6(+M) 2.500E+13 0.000 0.000 LOW/ 4.270E+058 -11.940 9769.8/ TROE/ 1.750E-001 1.341E+003 6.000E+004 1.014E+004/ C3H5-A+H(+M)=C3H6(+M) 2.000E+14 0.000 0.000 LOW/ 1.330E+060 -12.000 5967.8/ TROE/ 2.000E-002 1.097E+003 1.097E+003 6.860E+003/ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/ C3H6=C3H5-S+H 7.710E+69 -16.090 140000.000 C3H6=C3H5-T+H 5.620E+71 -16.580 139300.000 !REF:!From Koert et al. energy & fuels Vol 6: 485-493 1992 C3H6+O=C2H5+HCO 1.580E+07 1.760 -1216.000 C3H6+O=>CH2CO+CH3+H 2.500E+07 1.760 76.000 C3H6+O=>CH3CHCO+H+H 2.500E+07 1.760 76.000 C3H6+O=C3H5-A+OH 5.240E+11 0.700 5884.000 C3H6+O=C3H5-S+OH 1.200E+11 0.700 8959.000 C3H6+O=C3H5-T+OH 6.030E+10 0.700 7632.000 !REF:Updated based on Hanson's total rate C3H6+OH=C3H5-A+H2O 1.970E+06 2.200 540.000 C3H6+OH=C3H5-S+H2O 2.110E+06 2.000 2778.000 C3H6+OH=C3H5-T+H2O 1.110E+06 2.000 1451.000 !REF:Scott and Walker C&F 129(4) 365--377 2002 C3H6+HO2=C3H5-A+H2O2 2.700E+04 2.500 12340.000 C3H6+HO2=C3H5-S+H2O2 1.800E+04 2.500 27620.000 C3H6+HO2=C3H5-T+H2O2 9.000E+03 2.500 23590.000 !REF:laskin et al ijck 32 589-614 2000 C3H6+H=C3H5-A+H2 1.730E+05 2.500 2492.000 C3H6+H=C3H5-S+H2 8.040E+05 2.500 12280.000 C3H6+H=C3H5-T+H2 4.050E+05 2.500 9794.000 !REF:laskin et al ijck 32 589-614 2000 !REF:original:Tsang, W. J.Phys.Chem.Ref.Data 1991, 20, 221. C3H6+H=C2H4+CH3 8.800E+16 -1.050 6461.000 PLOG/ 0.1000 8.800E+016 -1.050 6461.0/ PLOG/ 1.0000 8.000E+021 -2.390 11180.0/ PLOG/ 10.0000 3.300E+024 -3.040 15610.0/ !REF: C3H6+O2=C3H5-A+HO2 4.000E+12 0.000 39900.000 C3H6+O2=C3H5-S+HO2 2.000E+12 0.000 62900.000 C3H6+O2=C3H5-T+HO2 1.400E+12 0.000 60700.000 !REF:Tsang, W. J. Phys. Chem. Ref. Data 17, 887 (1988) C3H6+CH3=C3H5-A+CH4 2.210E+00 3.500 5675.000 C3H6+CH3=C3H5-S+CH4 1.348E+00 3.500 12850.000 C3H6+CH3=C3H5-T+CH4 8.400E-01 3.500 11660.000 !REF:!allara, d. l. and shaw, r., j. phys. chem. ref. data 9, 523 (1980) C3H6+C2H5=C3H5-A+C2H6 1.000E+11 0.000 9800.000 !REF:analogy to c3h6+ho2 C3H6+CH3CO3=C3H5-A+CH3CO3H 3.240E+11 0.000 14900.000 C3H6+CH3O2=C3H5-A+CH3O2H 3.240E+11 0.000 14900.000 !REF: C3H6+HO2=C3H6O1-2+OH 1.290E+12 0.000 14900.000 !REF:Analogy to c3h6+ho2 C3H6+C2H5O2=C3H5-A+C2H5O2H 3.240E+11 0.000 14900.000 C3H6+NC3H7O2=C3H5-A+NC3H7O2H 3.240E+11 0.000 14900.000 C3H6+IC3H7O2=C3H5-A+IC3H7O2H 3.240E+11 0.000 14900.000 C3H6+OH=C3H6OH 9.930E+11 0.000 -960.000 !REF:wilk, cernansky, pitz, and westbrook, C&F 1988. C3H6OH+O2=HOC3H6O2 1.200E+11 0.000 -1100.000 !REF: HOC3H6O2=>CH3CHO+CH2O+OH 1.250E+10 0.000 18900.000 !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C2H2+CH3=C3H5-A 8.200E+53 -13.320 33200.000 PLOG/ 0.1000 8.200E+053 -13.320 33200.0/ PLOG/ 1.0000 2.680E+053 -12.820 35730.0/ PLOG/ 2.0000 3.640E+052 -12.460 36127.0/ PLOG/ 5.0000 1.040E+051 -11.890 36476.0/ PLOG/ 10.0000 4.400E+049 -11.400 36700.0/ PLOG/ 100.0000 3.800E+044 -9.630 37600.0/ !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C3H4-A+H=C3H5-A 9.600E+61 -14.670 26000.000 PLOG/ 0.1000 9.600E+061 -14.670 26000.0/ PLOG/ 1.0000 1.520E+059 -13.540 26949.0/ PLOG/ 2.0000 3.780E+057 -12.980 26785.0/ PLOG/ 5.0000 7.340E+054 -12.090 26187.0/ PLOG/ 10.0000 2.400E+052 -11.300 25400.0/ PLOG/ 100.0000 6.900E+041 -8.060 21300.0/ !REF:Glaude,P.A. et al,Proc. combust. inst C3H5-A+HO2=C3H5O+OH 7.000E+12 0.000 -1000.000 C3H5-A+CH3O2=C3H5O+CH3O 7.000E+12 0.000 -1000.000 !REF:Klippenstein & Harding 2007 C3H5-A+H=C3H4-A+H2 1.232E+03 3.035 2582.000 !REF:Tsang, W. J.Phys.Chem.Ref.Data 1991, 20, 221. C3H5-A+O=C2H3CHO+H 6.000E+13 0.000 0.000 !REF:Tsang, W. J.Phys.Chem.Ref.Data 1991, 20, 221. C3H5-A+OH=>C2H3CHO+H+H 5.300E+37 -6.710 29306.000 PLOG/ 0.1000 5.300E+037 -6.710 29306.0/ PLOG/ 1.0000 4.200E+032 -5.160 30126.0/ PLOG/ 10.0000 1.600E+020 -1.560 26330.0/ !REF:Tsang, W. J.Phys.Chem.Ref.Data 1991, 20, 221. C3H5-A+OH=C3H4-A+H2O 6.000E+12 0.000 0.000 !REF:laskin et al. ijck 32 589-614 2000 C3H5-A+CH3=C3H4-A+CH4 3.000E+12 -0.320 -131.000 !REF:Dagaut, P. et al., CST 71, 111(1990). C3H5-A+C2H5=C2H6+C3H4-A 4.000E+11 0.000 0.000 C3H5-A+C2H5=C2H4+C3H6 4.000E+11 0.000 0.000 C3H5-A+C2H3=C2H4+C3H4-A 1.000E+12 0.000 0.000 !REF:!wang, J. Phys. Chem. Ref. Data 20, 221-273, (1991) C3H5-A+C3H5-A=C3H4-A+C3H6 8.430E+10 0.000 -262.000 !REF:laskin et al. ijck 32 589-614 2000 C3H5-A+O2=C3H4-A+HO2 4.990E+15 -1.400 22428.000 PLOG/ 1.0000 4.990E+015 -1.400 22428.0/ PLOG/ 10.0000 2.180E+021 -2.850 30755.0/ C3H5-A+O2=CH3CO+CH2O 1.190E+15 -1.010 20128.000 PLOG/ 1.0000 1.190E+015 -1.010 20128.0/ PLOG/ 10.0000 7.140E+015 -1.210 21046.0/ C3H5-A+O2=C2H3CHO+OH 1.820E+13 -0.410 22859.000 PLOG/ 1.0000 1.820E+013 -0.410 22859.0/ PLOG/ 10.0000 2.470E+013 -0.450 23017.0/ !REF:laskin et al. ijck 32 589-614 2000 C3H5-A+HCO=C3H6+CO 6.000E+13 0.000 0.000 C2H3+CH3=C3H5-A+H 1.500E+24 -2.830 18618.000 !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C3H5-A=C3H5-T 3.900E+59 -15.420 75400.000 PLOG/ 0.1000 3.900E+059 -15.420 75400.0/ PLOG/ 1.0000 7.060E+056 -14.080 75868.0/ PLOG/ 2.0000 4.800E+055 -13.590 75949.0/ PLOG/ 5.0000 4.860E+053 -12.810 75883.0/ PLOG/ 10.0000 6.400E+051 -12.120 75700.0/ PLOG/ 100.0000 2.800E+043 -9.270 74000.0/ !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C3H5-A=C3H5-S 1.300E+55 -14.530 73800.000 PLOG/ 0.1000 1.300E+055 -14.530 73800.0/ PLOG/ 1.0000 5.000E+051 -13.020 73300.0/ PLOG/ 10.0000 9.700E+048 -11.730 73700.0/ PLOG/ 100.0000 4.860E+044 -9.840 73400.0/ !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C2H2+CH3=C3H5-S 1.400E+32 -7.140 10000.000 PLOG/ 0.1000 1.400E+032 -7.140 10000.0/ PLOG/ 1.0000 3.200E+035 -7.760 13300.0/ PLOG/ 10.0000 2.400E+038 -8.210 17100.0/ PLOG/ 100.0000 1.400E+039 -8.060 20200.0/ !REF:laskin et al. ijck 32 589-614 2000 C3H5-S+O2=CH3CHO+HCO 1.000E+11 0.000 0.000 !REF:Dagaut, P. et al., CST 71, 111(1990). C3H5-S+H=C3H4-A+H2 3.333E+12 0.000 0.000 C3H5-S+CH3=C3H4-A+CH4 1.000E+11 0.000 0.000 !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C2H2+CH3=C3H5-T 6.800E+20 -4.160 18000.000 PLOG/ 0.1000 6.800E+020 -4.160 18000.0/ PLOG/ 1.0000 4.990E+022 -4.390 18850.0/ PLOG/ 2.0000 6.000E+023 -4.600 19571.0/ PLOG/ 5.0000 7.310E+025 -5.060 21150.0/ PLOG/ 10.0000 9.300E+027 -5.550 22900.0/ PLOG/ 100.0000 3.800E+036 -7.580 31300.0/ !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C3H4-A+H=C3H5-T 9.200E+38 -8.650 7000.000 PLOG/ 0.1000 9.200E+038 -8.650 7000.0/ PLOG/ 1.0000 9.460E+042 -9.430 11190.0/ PLOG/ 2.0000 8.470E+043 -9.590 12462.0/ PLOG/ 5.0000 6.980E+044 -9.700 14032.0/ PLOG/ 10.0000 1.500E+045 -9.690 15100.0/ PLOG/ 100.0000 1.800E+043 -8.780 16800.0/ !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C3H4-P+H=C3H5-T 4.600E+44 -10.210 10200.000 PLOG/ 0.1000 4.600E+044 -10.210 10200.0/ PLOG/ 1.0000 1.660E+047 -10.580 13690.0/ PLOG/ 2.0000 5.040E+047 -10.610 14707.0/ PLOG/ 5.0000 9.620E+047 -10.550 15910.0/ PLOG/ 10.0000 7.000E+047 -10.400 16600.0/ PLOG/ 100.0000 3.200E+044 -9.110 17400.0/ !REF:laskin et al. ijck 32 589-614 2000 C3H5-S+H=C3H4-P+H2 3.340E+12 0.000 0.000 C3H5-S+O=C2H4+HCO 6.000E+13 0.000 0.000 C3H5-S+OH=>C2H4+HCO+H 5.000E+12 0.000 0.000 C3H5-S+HO2=>C2H4+HCO+OH 2.000E+13 0.000 0.000 C3H5-S+HCO=C3H6+CO 9.000E+13 0.000 0.000 C3H5-S+CH3=C3H4-P+CH4 1.000E+11 0.000 0.000 !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C3H5-T=C3H5-S 1.600E+44 -12.160 52200.000 PLOG/ 0.1000 1.600E+044 -12.160 52200.0/ PLOG/ 1.0000 1.500E+048 -12.710 53900.0/ PLOG/ 10.0000 5.100E+052 -13.370 57200.0/ PLOG/ 100.0000 5.800E+051 -12.430 59200.0/ !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C3H4-A+H=C3H5-S 1.100E+30 -6.520 15200.000 PLOG/ 0.1000 1.100E+030 -6.520 15200.0/ PLOG/ 1.0000 5.400E+029 -6.090 16300.0/ PLOG/ 10.0000 2.600E+031 -6.230 18700.0/ PLOG/ 100.0000 3.200E+031 -5.880 21500.0/ !REF:ziegler et al. j. anal.apply.pyrolysis 73 212-230 (2005) C3H4-A+C3H4-A=C3H5-A+C3H3 5.000E+14 0.000 64746.700 !REF:Glaude,P.A. et al,Proc. combust. inst C3H5-T+O2=C3H4-A+HO2 1.890E+30 -5.590 15540.000 C3H5-T+O2=CH3COCH2+O 3.810E+17 -1.360 5580.000 !REF:laskin et al. ijck 32 589-614 2000 C3H5-T+O2=CH3CO+CH2O 1.000E+11 0.000 0.000 !REF:laskin et al. ijck 32 589-614 2000 C3H5-T+H=C3H4-P+H2 3.340E+12 0.000 0.000 C3H5-T+CH3=C3H4-P+CH4 1.000E+11 0.000 0.000 !REF:laskin et al. ijck 32 589-614 2000 C3H5-T+O=CH3+CH2CO 6.000E+13 0.000 0.000 C3H5-T+OH=>CH3+CH2CO+H 5.000E+12 0.000 0.000 C3H5-T+HO2=>CH3+CH2CO+OH 2.000E+13 0.000 0.000 C3H5-T+HCO=C3H6+CO 9.000E+13 0.000 0.000 !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C3H4-P=C3H4-A 6.400E+61 -14.590 88200.000 PLOG/ 0.1000 6.400E+061 -14.590 88200.0/ PLOG/ 0.4000 5.810E+062 -14.630 91211.0/ PLOG/ 1.0000 5.150E+060 -13.930 91117.0/ PLOG/ 2.0000 7.640E+059 -13.590 91817.0/ PLOG/ 5.0000 3.120E+058 -13.070 92680.0/ PLOG/ 10.0000 1.900E+057 -12.620 93300.0/ PLOG/ 100.0000 1.400E+052 -10.860 95400.0/ !REF:laskin et al. ijck 32 589-614 2000 C3H3+HO2=C3H4-A+O2 3.000E+11 0.000 0.000 !REF:Dagaut, P. et al., CST 71, 111(1990). C3H4-A+HO2=>CH2CO+CH2+OH 4.000E+12 0.000 19000.000 C3H4-A+OH=CH2CO+CH3 3.120E+12 0.000 -397.000 !REF:laskin et al. ijck 32 589-614 2000 C3H4-A+OH=C3H3+H2O 5.300E+06 2.000 2000.000 C3H4-A+O=C2H4+CO 2.000E+07 1.800 1000.000 !REF:Dagaut, P. et al., CST 71, 111(1990). C3H4-A+O=C2H2+CH2O 3.000E-03 4.610 -4243.000 !REF:laskin et al. ijck 32 589-614 2000 C3H4-A+H=C3H3+H2 1.300E+06 2.000 5500.000 C3H4-A+CH3=C3H3+CH4 1.300E+12 0.000 7700.000 !REF:Dagaut, P. et al., CST 71, 111(1990). C3H4-A+C3H5-A=C3H3+C3H6 2.000E+11 0.000 7700.000 !REF:laskin et al. ijck 32 589-614 2000 C3H4-A+C2H=C2H2+C3H3 1.000E+13 0.000 0.000 !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C3H4-P=CC3H4 3.400E+46 -10.970 68900.000 PLOG/ 0.1000 3.400E+046 -10.970 68900.0/ PLOG/ 0.4000 2.840E+045 -10.450 69284.0/ PLOG/ 1.0000 1.200E+044 -9.920 69250.0/ PLOG/ 2.0000 5.470E+042 -9.430 69089.0/ PLOG/ 5.0000 3.920E+040 -8.690 68706.0/ PLOG/ 10.0000 5.300E+038 -8.060 68300.0/ PLOG/ 100.0000 2.800E+031 -5.690 66400.0/ !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C3H4-P+H=C3H4-A+H 2.300E+15 -0.260 7600.000 PLOG/ 0.1000 2.300E+015 -0.260 7600.0/ PLOG/ 1.0000 6.270E+017 -0.910 10079.0/ PLOG/ 2.0000 1.500E+018 -1.000 10756.0/ PLOG/ 5.0000 1.930E+018 -1.010 11523.0/ PLOG/ 10.0000 3.100E+022 -2.180 14800.0/ PLOG/ 100.0000 6.400E+027 -3.580 21200.0/ !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C3H4-P+H=C3H5-S 1.000E+25 -5.000 1800.000 PLOG/ 0.1000 1.000E+025 -5.000 1800.0/ PLOG/ 1.0000 5.500E+028 -5.740 4300.0/ PLOG/ 10.0000 1.000E+034 -6.880 8900.0/ PLOG/ 100.0000 9.700E+037 -7.630 13800.0/ !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C3H4-P+H=C3H5-A 1.100E+60 -14.560 28100.000 PLOG/ 0.1000 1.100E+060 -14.560 28100.0/ PLOG/ 1.0000 4.910E+060 -14.370 31644.0/ PLOG/ 2.0000 3.040E+060 -14.190 32642.0/ PLOG/ 5.0000 9.020E+059 -13.890 33953.0/ PLOG/ 10.0000 2.200E+059 -13.610 34900.0/ PLOG/ 100.0000 1.600E+055 -12.070 37500.0/ !REF:laskin et al. ijck 32 589-614 2000 C3H4-P+H=C3H3+H2 1.300E+06 2.000 5500.000 !REF:laskin et al. ijck 32 589-614 2000 C3H4-P+C3H3=C3H4-A+C3H3 6.140E+06 1.740 10450.000 !REF:laskin et al. ijck 32 589-614 2000 C3H4-P+O=HCCO+CH3 7.300E+12 0.000 2250.000 !REF:laskin et al. ijck 32 589-614 2000 C3H4-P+O=C2H4+CO 1.000E+13 0.000 2250.000 !REF:laskin et al. ijck 32 589-614 2000 C3H4-P+OH=C3H3+H2O 1.000E+06 2.000 100.000 !REF:laskin et al. ijck 32 589-614 2000 C3H4-P+C2H=C2H2+C3H3 1.000E+13 0.000 0.000 !REF:laskin et al. ijck 32 589-614 2000 C3H4-P+CH3=C3H3+CH4 1.800E+12 0.000 7700.000 !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C2H2+CH3=C3H4-P+H 4.500E+06 1.860 11600.000 PLOG/ 0.1000 4.500E+006 1.860 11600.0/ PLOG/ 1.0000 2.560E+009 1.100 13644.0/ PLOG/ 2.0000 2.070E+010 0.850 14415.0/ PLOG/ 5.0000 2.510E+011 0.560 15453.0/ PLOG/ 10.0000 1.100E+012 0.390 16200.0/ PLOG/ 100.0000 2.100E+012 0.370 18100.0/ !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 CC3H4=C3H4-A 2.300E+39 -8.810 47800.000 PLOG/ 0.1000 2.300E+039 -8.810 47800.0/ PLOG/ 0.4000 7.590E+040 -9.070 48831.0/ PLOG/ 1.0000 4.890E+041 -9.170 49594.0/ PLOG/ 2.0000 8.810E+041 -9.150 50073.0/ PLOG/ 5.0000 4.330E+041 -8.930 50475.0/ PLOG/ 10.0000 7.200E+040 -8.600 50600.0/ PLOG/ 100.0000 1.600E+035 -6.640 49500.0/ !REF:laskin et al. ijck 32 589-614 2000 C3H3+H=C3H4-P 1.500E+13 0.000 0.000 !REF:laskin et al. ijck 32 589-614 2000 C3H3+H=C3H4-A 2.500E+12 0.000 0.000 !REF:pitz estimate C2H+CH3=C3H4-P 8.000E+13 0.000 0.000 !REF:laskin et al. ijck 32 589-614 2000 C3H3+HO2=C3H4-P+O2 2.500E+12 0.000 0.000 !REF:Dagaut, P. et al., CST 71, 111(1990). C3H4-P+HO2=>C2H4+CO+OH 3.000E+12 0.000 19000.000 !REF:Dagaut, P. et al., CST 71, 111(1990). C3H4-P+OH=CH2CO+CH3 5.000E-04 4.500 -1000.000 C3H4-P+O=C2H3+HCO 3.200E+12 0.000 2010.000 !REF:Glaude,P.A. et al,Proc. combust. inst C3H4-P+O=C3H3+OH 7.650E+08 1.500 8600.000 !REF:Dagaut, P. et al., CST 71, 111(1990). C3H4-P+C2H3=C3H3+C2H4 1.000E+12 0.000 7700.000 C3H4-P+C3H5-A=C3H3+C3H6 1.000E+12 0.000 7700.000 !REF:laskin et al. ijck 32 589-614 2000 C3H3+O=CH2O+C2H 2.000E+13 0.000 0.000 !REF:laskin et al. ijck 32 589-614 2000 C3H3+O2=CH2CO+HCO 3.000E+10 0.000 2868.000 !REF:laskin et al. ijck 32 589-614 2000 C3H3+HO2=>OH+CO+C2H3 8.000E+11 0.000 0.000 !REF:laskin et al. ijck 32 589-614 2000 C3H3+HCO=C3H4-A+CO 2.500E+13 0.000 0.000 !REF:laskin et al. ijck 32 589-614 2000 C3H3+HCO=C3H4-P+CO 2.500E+13 0.000 0.000 !REF: C2H5+C2H=C3H3+CH3 1.810E+13 0.000 0.000 !REF:Dagaut, P. et al., CST 71, 111(1990). C3H4-A+HO2=>C2H4+CO+OH 1.000E+12 0.000 14000.000 C3H4-A+HO2=C3H3+H2O2 3.000E+13 0.000 14000.000 !REF:Davis and Law J. Phys. Chem. A 1999, 103, 5889-589 C2H2+CH3=C3H4-A+H 2.400E+09 0.910 20700.000 PLOG/ 0.1000 2.400E+009 0.910 20700.0/ PLOG/ 1.0000 5.140E+009 0.860 22153.0/ PLOG/ 2.0000 1.330E+010 0.750 22811.0/ PLOG/ 5.0000 9.200E+010 0.540 23950.0/ PLOG/ 10.0000 5.100E+011 0.350 25000.0/ PLOG/ 100.0000 7.300E+012 0.110 28500.0/ !REF:Estimate CH3CHCO+OH=C2H5+CO2 1.730E+12 0.000 -1010.000 CH3CHCO+OH=SC2H4OH+CO 2.000E+12 0.000 -1010.000 CH3CHCO+H=C2H5+CO 4.400E+12 0.000 1459.000 CH3CHCO+O=CH3CHO+CO 3.200E+12 0.000 -437.000 !REF: NC3H7+HO2=NC3H7O+OH 7.000E+12 0.000 -1000.000 IC3H7+HO2=IC3H7O+OH 7.000E+12 0.000 -1000.000 CH3O2+NC3H7=CH3O+NC3H7O 7.000E+12 0.000 -1000.000 CH3O2+IC3H7=CH3O+IC3H7O 7.000E+12 0.000 -1000.000 !REF: NC3H7+O2=NC3H7O2 4.520E+12 0.000 0.000 IC3H7+O2=IC3H7O2 7.540E+12 0.000 0.000 !REF:analogy to ch2o+ho2 NC3H7O2+CH2O=NC3H7O2H+HCO 5.600E+12 0.000 13600.000 !REF:half of ch2o+ho2 NC3H7O2+CH3CHO=NC3H7O2H+CH3CO 2.800E+12 0.000 13600.000 !REF:analogy to ch2o+ho2 IC3H7O2+CH2O=IC3H7O2H+HCO 5.600E+12 0.000 13600.000 !REF:half of ch2o+ho2 IC3H7O2+CH3CHO=IC3H7O2H+CH3CO 2.800E+12 0.000 13600.000 !REF: NC3H7O2+HO2=NC3H7O2H+O2 1.750E+10 0.000 -3275.000 IC3H7O2+HO2=IC3H7O2H+O2 1.750E+10 0.000 -3275.000 !REF:analogy to c2h4+ho2 C2H4+NC3H7O2=C2H3+NC3H7O2H 1.130E+13 0.000 30430.000 C2H4+IC3H7O2=C2H3+IC3H7O2H 1.130E+13 0.000 30430.000 !REF:analogy to ch3oh+ho2 CH3OH+NC3H7O2=CH2OH+NC3H7O2H 6.300E+12 0.000 19360.000 CH3OH+IC3H7O2=CH2OH+IC3H7O2H 6.300E+12 0.000 19360.000 !REF:half of ch2o+ho2 C2H3CHO+NC3H7O2=C2H3CO+NC3H7O2H 2.800E+12 0.000 13600.000 C2H3CHO+IC3H7O2=C2H3CO+IC3H7O2H 2.800E+12 0.000 13600.000 !REF:analogy to ch4+ho2 CH4+NC3H7O2=CH3+NC3H7O2H 1.120E+13 0.000 24640.000 CH4+IC3H7O2=CH3+IC3H7O2H 1.120E+13 0.000 24640.000 !REF: NC3H7O2+CH3O2=>NC3H7O+CH3O+O2 1.400E+16 -1.610 1860.000 IC3H7O2+CH3O2=>IC3H7O+CH3O+O2 1.400E+16 -1.610 1860.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) H2+NC3H7O2=H+NC3H7O2H 3.010E+13 0.000 26030.000 H2+IC3H7O2=H+IC3H7O2H 3.010E+13 0.000 26030.000 !REF:westbrook estimate IC3H7O2+C2H6=IC3H7O2H+C2H5 1.700E+13 0.000 20460.000 NC3H7O2+C2H6=NC3H7O2H+C2H5 1.700E+13 0.000 20460.000 IC3H7O2+C2H5CHO=IC3H7O2H+C2H5CO 2.000E+11 0.000 9500.000 NC3H7O2+C2H5CHO=NC3H7O2H+C2H5CO 2.000E+11 0.000 9500.000 !REF: IC3H7O2+CH3CO3=>IC3H7O+CH3CO2+O2 1.400E+16 -1.610 1860.000 NC3H7O2+CH3CO3=>NC3H7O+CH3CO2+O2 1.400E+16 -1.610 1860.000 IC3H7O2+C2H5O2=>IC3H7O+C2H5O+O2 1.400E+16 -1.610 1860.000 NC3H7O2+C2H5O2=>NC3H7O+C2H5O+O2 1.400E+16 -1.610 1860.000 IC3H7O2+IC3H7O2=>O2+IC3H7O+IC3H7O 1.400E+16 -1.610 1860.000 NC3H7O2+NC3H7O2=>O2+NC3H7O+NC3H7O 1.400E+16 -1.610 1860.000 IC3H7O2+NC3H7O2=>IC3H7O+NC3H7O+O2 1.400E+16 -1.610 1860.000 IC3H7O2+CH3=IC3H7O+CH3O 7.000E+12 0.000 -1000.000 IC3H7O2+C2H5=IC3H7O+C2H5O 7.000E+12 0.000 -1000.000 IC3H7O2+IC3H7=IC3H7O+IC3H7O 7.000E+12 0.000 -1000.000 IC3H7O2+NC3H7=IC3H7O+NC3H7O 7.000E+12 0.000 -1000.000 IC3H7O2+C3H5-A=IC3H7O+C3H5O 7.000E+12 0.000 -1000.000 NC3H7O2+CH3=NC3H7O+CH3O 7.000E+12 0.000 -1000.000 NC3H7O2+C2H5=NC3H7O+C2H5O 7.000E+12 0.000 -1000.000 NC3H7O2+IC3H7=NC3H7O+IC3H7O 7.000E+12 0.000 -1000.000 NC3H7O2+NC3H7=NC3H7O+NC3H7O 7.000E+12 0.000 -1000.000 NC3H7O2+C3H5-A=NC3H7O+C3H5O 7.000E+12 0.000 -1000.000 NC3H7O2H=NC3H7O+OH 1.500E+16 0.000 42500.000 !REF:pitz estimate IC3H7O+OH=IC3H7O2H 1.000E+15 -0.800 0.000 !REF: C2H5+CH2O=NC3H7O 1.000E+11 0.000 3496.000 C2H5CHO+H=NC3H7O 4.000E+12 0.000 6260.000 CH3+CH3CHO=IC3H7O 1.000E+11 0.000 9256.000 CH3COCH3+H=IC3H7O 2.000E+12 0.000 7270.000 !REF:balla et al., chem. physics, 99, 323 (1985) IC3H7O+O2=CH3COCH3+HO2 9.090E+09 0.000 390.000 !REF: NC3H7O2=C3H6OOH1-2 6.000E+11 0.000 26850.000 NC3H7O2=C3H6OOH1-3 1.125E+11 0.000 24400.000 IC3H7O2=C3H6OOH2-1 1.800E+12 0.000 29400.000 !REF:Bozzelli, J. and Dean, A, 1992 IC3H7O2=C3H6OOH2-2 1.230E+35 -6.960 48880.000 !REF: C3H6OOH1-2=C3H6O1-2+OH 6.000E+11 0.000 22000.000 C3H6OOH1-3=C3H6O1-3+OH 7.500E+10 0.000 15250.000 C3H6OOH2-1=C3H6O1-2+OH 6.000E+11 0.000 22000.000 !REF: C3H6+HO2=C3H6OOH1-2 1.000E+11 0.000 11000.000 C3H6+HO2=C3H6OOH2-1 1.000E+11 0.000 11750.000 C3H6OOH1-3=>OH+CH2O+C2H4 3.035E+15 -0.790 27400.000 !REF:Bozzelli and Pitz, 1995 C3H6OOH2-1=C2H3OOH+CH3 6.540E+27 -5.140 38320.000 C3H6OOH1-2=>C2H4+CH2O+OH 1.310E+33 -7.010 48120.000 !REF:Estimate C3H6OOH2-2=CH3COCH3+OH 9.000E+14 0.000 1500.000 C3H6OOH1-2+O2=C3H6OOH1-2O2 5.000E+12 0.000 0.000 C3H6OOH1-3+O2=C3H6OOH1-3O2 4.520E+12 0.000 0.000 C3H6OOH2-1+O2=C3H6OOH2-1O2 4.520E+12 0.000 0.000 !REF: C3H6OOH1-2O2=C3KET12+OH 6.000E+11 0.000 26400.000 C3H6OOH1-3O2=C3KET13+OH 7.500E+10 0.000 21400.000 C3H6OOH2-1O2=C3KET21+OH 3.000E+11 0.000 23850.000 C3H6OOH2-1O2=C3H51-2,3OOH 1.125E+11 0.000 24400.000 C3H6OOH1-2O2=C3H51-2,3OOH 9.000E+11 0.000 29400.000 !REF: Bozzelli and Pitz, 1993. C3H51-2,3OOH=AC3H5OOH+HO2 2.560E+13 -0.490 17770.000 !REF: C3H6OOH1-3O2=C3H52-1,3OOH 6.000E+11 0.000 26850.000 !REF:Bozzelli and Pitz, 1993. C3H52-1,3OOH=AC3H5OOH+HO2 1.150E+14 -0.630 17250.000 !REF: C3KET12=>CH3CHO+HCO+OH 9.450E+15 0.000 43000.000 C3KET13=>CH2O+CH2CHO+OH 1.000E+16 0.000 43000.000 C3KET21=>CH2O+CH3CO+OH 1.000E+16 0.000 43000.000 !REF:Estimate C3H5O+OH=AC3H5OOH 2.000E+13 0.000 0.000 !REF: C3H5O=C2H3CHO+H 1.000E+14 0.000 29100.000 C2H3+CH2O=C3H5O 1.500E+11 0.000 10600.000 !REF:acetaldehyde analog C3H5O+O2=C2H3CHO+HO2 1.000E+12 0.000 6000.000 !REF:pitz estimate C2H3OOH=CH2CHO+OH 8.400E+14 0.000 43000.000 !REF:!flowers, m. c., j. chem. soc. far. trans. i 73, 1927 (1977) C3H6O1-2=C2H4+CH2O 6.000E+14 0.000 60000.000 !REF:westbrook estimate C3H6O1-2+OH=>CH2O+C2H3+H2O 5.000E+12 0.000 0.000 C3H6O1-2+H=>CH2O+C2H3+H2 2.630E+07 2.000 5000.000 C3H6O1-2+O=>CH2O+C2H3+OH 8.430E+13 0.000 5200.000 C3H6O1-2+HO2=>CH2O+C2H3+H2O2 1.000E+13 0.000 15000.000 C3H6O1-2+CH3O2=>CH2O+C2H3+CH3O2H 1.000E+13 0.000 19000.000 C3H6O1-2+CH3=>CH2O+C2H3+CH4 2.000E+11 0.000 10000.000 !REF:westbrook and pitz estimate (1983) C3H6O1-3=C2H4+CH2O 6.000E+14 0.000 60000.000 !REF:Pitz estimate C3H6O1-3+OH=>CH2O+C2H3+H2O 5.000E+12 0.000 0.000 C3H6O1-3+O=>CH2O+C2H3+OH 8.430E+13 0.000 5200.000 C3H6O1-3+H=>CH2O+C2H3+H2 2.630E+07 2.000 5000.000 C3H6O1-3+CH3O2=>CH2O+C2H3+CH3O2H 1.000E+13 0.000 19000.000 C3H6O1-3+HO2=>CH2O+C2H3+H2O2 1.000E+13 0.000 15000.000 C3H6O1-3+CH3=>CH2O+C2H3+CH4 2.000E+11 0.000 10000.000 !REF: IC3H7O2=C3H6+HO2 1.196E+43 -9.430 41530.000 NC3H7O2=C3H6+HO2 4.308E+36 -7.500 39510.000 !REF:Curran estimate Tsang '88 secondary H !REF:1/ 2 Tsang's c3h8+h !REF:Tsang, W. J. Phys. Chem. Ref. Data 17, 887 (1988) !REF:Phil Taylor ch3cho+oh x 1.5 !REF:26th Intl. Combustion Symp. p 497--504. !REF:Anology with ho2 !REF:c3h8+ch3=ic3h7+ch4 !REF:Tsang, W. J. Phys. Chem. Ref. Data 17, 887 (1988) !REF:GRI !REF:Anology to propane CH3OCH3+CH3O=CH3OCH2+CH3OH 6.020E+11 0.000 4074.000 !REF: !REF:Estimate CH3OCHO+HCO=CH3OCO+CH2O 5.400E+06 1.900 17010.000 !REF: Lightfoot,P.D. etal., Atmos. Environ. Part A: 26, 1805-1961 (1992) !REF:Tsang, W. J. Phys. Chem. Ref. Data 17, 887 (1988) !REF:Estimate CH3OCH2O2+CH3OCH2O2=>O2+CH3OCH2O+CH3OCH2O 1.547E+23 -4.500 0.000 CH3O+CH3OH=CH2OH+CH3OH 3.000E+11 0.000 4074.000 !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) CH2O+CH3=HCO+CH4 3.830E+01 3.360 4312.000 !REF:J. Phys. Chem. A 109, 12027-12035, 2005 !REF:tsang, jpc ref. data, 16:471 (1987) CH3OCH3+CH3=CH3OCH2+CH4 1.445E-06 5.730 5700.000 CH3OCH3+HO2=CH3OCH2+H2O2 8.670E+02 3.010 12090.000 !REF:c3h8+ch3=nc3h7+ch4 !REF:Tsang, W. J. Phys. Chem. Ref. Data 17, 887 (1988) CH2O+OH=HCO+H2O 7.820E+07 1.630 -1055.000 !REF:irdam et al., ijck 1993, 25, 285 !REF: Estimate Ea=deltaU+Eaddn. CH2O+H=HCO+H2 5.740E+07 1.900 2740.000 !REF:curran fit to NIST database CH2O+O=HCO+OH 6.260E+09 1.150 2260.000 !REF:baulch et al. !REF:journal of physical and chemical reference data: !REF:34, 3, 757-1397 2005 CH3OCH3+H=CH3OCH2+H2 7.721E+06 2.090 3384.000 !REF:Curran 08 NIST fit CH4+H=CH3+H2 6.140E+05 2.500 9587.000 !REF:curran, fit to NIST database !REF:!ref:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) !REF:!1/ 2 ch3o2+ch2o=ch3o2h+hco !REF:tsang, jpc ref. data, 16:471 (1987) !REF:Estimate CH3OCH3+OH=CH3OCH2+H2O 6.324E+06 2.000 -651.700 !REF:curran, fit to NIST database !REF:curran estimate CH3OH+O=CH2OH+OH 3.880E+05 2.500 3080.000 !REF:xu et al. proc 31 2007 159-166 CH3OH+HCO=CH2OH+CH2O 9.630E+03 2.900 18000.000 !REF:tsang, jpc ref. data, 16:471 (1987) !REF:tsang and hampson, j. phys. chem. ref. data, 15:1087 (1986) CH3OCH3+O=CH3OCH2+OH 7.750E+08 1.360 2250.000 !REF:Based on J. Aguilera-Iparraguirre et al !REF:J Phys Chem A (2008) 112(30): 7047-7054. !REF:The A-factor for abstraction by ho2 and ch3o2 was multiplied by 0.5 !REF:Curran estimate Tsang '88 primary H HCO+O2=O2CHO 1.200E+11 0.000 -1100.000 !REF:analogy with ch3o2+ch2o Tsang/ Hampson 1986 CH3OCHO+HCO=CH2OCHO+CH2O 1.025E+05 2.500 18430.000 !REF:Fisher, E.M. et al., Proc. Comb. Inst., Vol. 28, 2000. !REF:Lightfoot et al. J. Chem. Soc. Fara Trans. 1991, 87(19), 3213--3220. CH3OCH3+OCHO=CH3OCH2+HOCHO 1.000E+13 0.000 17690.000 !REF:wkm recommendation 8/ 9/ 2010 !REF:Estimate CH2OH+HO2=HOCH2O+OH 1.000E+13 0.000 0.000 CH2O+OCHO=HOCHO+HCO 5.600E+12 0.000 13600.000 !REF:Hippler et al. PCCP. 3: 3450--2458 (2001). CH3OCH3+O2=CH3OCH2+HO2 4.100E+13 0.000 44910.000 !REF:Estimate CH2O+O2=HCO+HO2 8.070E+15 0.000 53420.000 !REF: CH3OH+CH3=CH2OH+CH4 3.190E+01 3.170 7172.000 !REF: fit to Cohen/ Westberg '86 HOCH2O2+HO2=HOCH2O2H+O2 3.500E+10 0.000 -3275.000 CH3+CH3OH=CH4+CH3O 1.440E+01 3.100 6935.000 !REF: !REF: Curran estimate !REF:Fisher, E.M. et al., Proc. Comb. Inst., Vol. 28, 2000. HOCH2O+OH=HOCH2O2H 1.000E+13 0.000 0.000 !REF:from jasper/ Klipp,j.phys.chem a 111,19,3932-3950 !REF:neglecting hcoh channels as they are not important OCHO+OH=HO2CHO 2.000E+13 0.000 0.000 !REF: CH2O+OH=HOCH2O 4.500E+15 -1.100 0.000 !REF:curran estimate CH3O+CH2O=CH3OCH2O 1.000E+11 0.000 7960.000 CH3OCH2O+OH=CH3OCH2O2H 2.000E+13 0.000 0.000 !REF:Oehschlaeger et al., Proc Comb Inst 30 (2005) 1119-1127 H+C2H2O3=H2+C2HO3r 2.220E+14 0.000 13742.829 CH3OH+H=CH3O+H2 1.990E+05 2.560 10300.000 CH3OH+H=CH2OH+H2 3.070E+05 2.550 5440.000 CH3OH+O2=CH2OH+HO2 2.05E+13 0.000 44900.000 CH3OH+HO2=CH2OH+H2O2 2.28E-05 5.06 10213.66 !!Klip CH3OH+HO2=CH3O+H2O2 3.34E-02 4.12 16234.56 !!Klip CH3+O2(+M)=CH3O2(+M) 7.812E+09 0.900 0.000 LOW/ 6.850E+024 -3.000 0.0/ TROE/ 6.000E-001 1.000E+003 7.000E+001 1.700E+003/ CH3+O2=CH3O+O 7.546E+12 0.000 28320.000 !!aramco CH3+O2=CH2O+OH 2.641E+00 3.283 8105.000 !!aramco CH3OH(+M)=CH3+OH(+M) 2.084E+18 -0.615 92540.600 LOW/ 1.500E+043 -6.995 97992.2/ TROE/ 0.7656 1910 59.51 9374/ CH3OH(+M)=CH2(S)+H2O(+M) 3.121E+18 -1.017 91712.000 LOW/ 1.430E+047 -8.227 99417.1/ TROE/ 0.9922 943 4.732E+004 4.711E+004/ CH3OH(+M)=CH2OH+H(+M) 7.896E-03 5.038 84467.400 LOW/ 3.390E+042 -7.244 105230.3/ TROE/ 0.6843 3.705E+004 4.150E+004 3980/ CH3+HO2=CH3O+OH 1.000E+12 0.269 -687.500 CH3+HO2=CH4+O2 1.160E+05 2.230 -3022.000 CH3O+OH=CH2O+H2O 3.55E+02 2.5 25063.21 CH3O2+CH3O2=CH2O+CH3OH+O2 3.110E+14 -1.610 -1051.000 CH3O2+CH3O2=O2+CH3O+CH3O 1.400E+16 -1.610 1860.000 CH3O2H=CH3O+OH 6.310E+14 0.000 42300.000 CH3O2+CH3=CH3O+CH3O 5.080E+12 0.000 -1411.000 CH3O2+OH=CH3OH+O2 2.0E+15 -0.6 0.000 CH3O2+HO2=CH3O2H+O2 2.47E+11 0.0 1490.32 !Lesclaux CH3O+O2=CH2O+HO2 1.08E-01 3.688 3788.00 CH2O+HO2=HCO+H2O2 1.880E+04 2.700 11520.000 CH3O2+CH2O=CH3O2H+HCO 1.990E+12 0.000 11660.000 CH3OH+CH3O2=CH2OH+CH3O2H 1.810E+12 0.000 13710.000 CH3O2+H2O2=CH3O2H+HO2 7.11E-02 4.057 6761.00 CH2O+CH3O=CH3OH+HCO 1.66E+04 2.525 1150.0 CH4+HO2=CH3+H2O2 1.47E+02 3.523 20602.0 HCO+O2=CO+HO2 7.580E+12 0.000 410.000 CH3OH+OH=CH3O+H2O 1.500E+02 3.030 -763.000 CH3OH+OH=CH2OH+H2O 3.080E+04 2.650 -806.700 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!! Genesys submechanism !!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!! DMM !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! C3H8O2=CH3+CH3OCH2O 8.500E+41 -7.950 91802.098 !!literature values C3H8O2=CH3O+CH3OCH2 1.240E+25 -2.290 85325.043 !!literature values O2+C3H8O2=HO2+C3H7O2r_1 1.260E+07 1.995 40344.166 O2+C3H8O2=HO2+C3H7O2r 1.880E+04 2.822 42590.820 O+C3H8O2=OH+C3H7O2r_1 1.100E+06 2.450 2820.268 O+C3H8O2=OH+C3H7O2r 5.43E+06 2.148 3080.78 H+C3H8O2=H2+C3H7O2r 5.040E+06 2.300 6453.155 H+C3H8O2=H2+C3H7O2r_1 2.180E+10 1.155 6548.757 OH+C3H8O2=H2O+C3H7O2r_1 1.000E+05 2.482 -3680.688 OH+C3H8O2=H2O+C3H7O2r 2.030E-01 4.224 -5712.237 HO2+C3H8O2=H2O2+C3H7O2r_1 2.260E+02 3.163 11759.082 HO2+C3H8O2=H2O2+C3H7O2r 1.320E+01 3.557 12691.204 CH3O+C3H8O2=CH3OH+C3H7O2r 9.8E+02 2.931 3441.00 CH3O+C3H8O2=CH3OH+C3H7O2r_1 3.380E+05 2.126 4493.308 CH3+C3H8O2=CH4+C3H7O2r 2.550E+02 3.120 9345.124 CH3+C3H8O2=CH4+C3H7O2r_1 6.720E+05 2.097 9608.030 CH2OH+C3H8O2=CH3OH+C3H7O2r 2.240E+12 0.000 19646.270 CH2OH+C3H8O2=CH3OH+C3H7O2r_1 6.050E+11 0.000 17304.014 C3H7O2r=C3H7O2r_1 3.340E+06 1.768 34297.321 C3H7O2r=CH2O+CH3OCH2 2.490E+14 -0.043 24737.092 C3H7O2r_1=CH3+CH3OCHO 6.17E+08 1.294 13647.227 C3H7O2r_1+O2=C3H7O4r 1.04E+15 -0.920 -119.503 C3H7O2r+O2=C3H7O4r_3 8.900E+10 0.230 -1577.438 !!COCOCOO C3H7O4r_3=C3H7O4r_5 6.700E+07 0.585 14125.238 C3H7O4r_3=C3H6O3_2+OH 2.82E+06 1.973 34893.00 C3H7O4r_3=C3H7O4r_4 5.370E+08 0.765 14651.051 !!COC(OO)OC C3H7O4r=C3H6O3+OH 1.670E+07 1.773 34414.00 C3H7O4r=C3H7O4r_1 0.925E+06 1.535 17238.00 C3H7O4r=C3H7O4r_2 0.925E+06 1.535 17238.00 !!C*OCOCOOH C3H7O4r_5=CH2O+CH2OCH2O2H 3.390E+16 -1.230 23374.760 C3H7O4r_5+O2=C3H7O6r_4 1.030E+11 0.230 -1577.438 C3H7O4r_5=C3H6O3_3+OH 2.510E+16 -1.447 15607.074 C3H7O4r_5=C3H6O3_2+OH 8.54E+12 -0.228 17058.00 !!OOCOCOCOOH C3H7O6r_4=C3H6O5_3+OH 5.680E+11 -0.036 18379.540 DUP C3H7O6r_4=C3H6O5_3+OH 1.55E+02 3.309 34188.00 DUP C3H7O6r_4=C3H7O6r_5 5.370E+08 0.765 14651.051 C3H6O5_3=C3H5O4r_7+OH 1.500E+16 0.000 42853.726 C3H7O6r_5=HO2CH2OCHO+CH2O+OH 6.770E+11 0.320 13021.00 C3H5O4r_7=OCH2OCHO+CH2O 2.330E+13 0.159 23398.660 !!COC*OCOOH C3H7O4r_4=CH3OCHO+CH2O+OH 6.770E+11 0.320 13025.812 C3H7O4r_4+O2=C3H7O6r_6 2.225E+14 -0.920 -119.503 C3H7O4r_4+O2=C3H7O6r_7 2.225E+14 -0.920 -119.503 C3H7O4r_4=C3H6O3_1+OH 9.210E+13 -0.342 15798.278 C3H7O4r_4=C3H6O3_2+OH 1.620E+08 1.277 32830.00 C3H7O4r_4=HO2CH2OCHO+CH3 4.05E+12 0.522 15718.00 !COC(OO)OCOOH C3H7O6r_6=C3H6O5_2+OH 9.48E+07 1.085 18604.00 C3H7O6r_7=C3H6O5_1+OH 9.48E+07 1.085 18604.00 C3H7O6r_6=C3H6O5+OH 2.03E+09 1.217 37806.00 C3H7O6r_7=C3H6O5+OH 2.03E+09 1.217 37806.00 C3H7O6r_6=C3H7O6r_3 1.85E+06 1.535 17238.00 C3H7O6r_7=C3H7O6r_1 1.85E+06 1.535 17238.00 C3H6O5_1=C3H5O4r_5+OH 1.500E+16 0.000 42853.726 C3H6O5_2=C3H5O4r_4+OH 1.500E+16 0.000 42853.726 C3H6O5=C3H5O4r+OH 1.500E+16 0.000 42853.726 C3H7O6r_1=CH2O+HO2CH2OCHO+OH 5.02E+10 0.732 18614.00 C3H7O6r_3=CH2O+HO2CH2OCHO+OH 5.02E+10 0.732 18614.00 C3H5O4r_4=CH3OCHO+OCHO 1.53E+11 0.321 7646.00 C3H5O4r_4=CH3O+C2H2O3_1 2.69E+08 1.609 10568.00 C3H5O4r_5=CH3OCHO+OCHO 1.53E+11 0.321 7646.00 C3H5O4r_5=CH3O+C2H2O3_1 2.69E+08 1.609 10568.00 C3H5O4r=C2H3O3r_2+CH2O 4.190E+11 0.785 25884.320 C3H5O4r=C2H4O3+HCO 5.120E+10 0.653 13479.923 C2H3O3r_2=CH3O+CO2 3.470E+12 0.303 14746.653 !!COC(OOH)OC* C3H7O4r_1=CH2O+CH3OCHO+OH 5.02E+10 0.732 18614.00 C3H7O4r_2=CH2O+CH3OCHO+OH 5.02E+10 0.732 18614.00 C3H7O4r_1+O2=C3H7O6r_2 1.030E+11 0.230 -1577.438 C3H7O4r_2+O2=C3H7O6r 1.030E+11 0.230 -1577.438 C3H7O4r_1=C3H6O3_1+OH 1.18E+13 -0.281 19443.00 C3H7O4r_2=C3H6O3_1+OH 1.18E+13 -0.281 19443.00 C3H7O4r_1=C3H6O3+OH 4.86E+04 2.361 31848.00 C3H7O4r_2=C3H6O3+OH 4.86E+04 2.361 31848.00 !!COC(OOH)OCOO C3H7O6r=C3H6O5+OH 2.64E+10 0.806 17141.00 C3H7O6r_2=C3H6O5+OH 2.64E+10 0.806 17141.00 C3H7O6r=C3H6O5_1+OH 1.34E+04 2.934 36274.00 C3H7O6r_2=C3H6O5_2+OH 1.34E+04 2.934 36274.00 C3H7O6r=C3H7O6r_1 6.70E+07 0.585 14116.00 C3H7O6r_2=C3H7O6r_3 6.70E+07 0.585 14116.00 C3H7O6r_6=C3H7O6r_2 5.78E+13 -0.899 16781.00 C3H7O6r_7=C3H7O6r 5.78E+13 -0.899 16781.00 !!!!!!!!!!!!!!!!!!!!!!!!!!!!! DME !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! CH3OCH2=CH2O+CH3 1.36E+11 1.007 25490.00 CH3OCH2+O2=CH3OCH2O2 8.9E+10 0.230 -1577.438 CH3OCH2O2=CH2OCH2O2H 1.78E+07 1.167 17321.00 CH3OCH2O2=CH3OCHO+OH 1.550E+02 3.309 34177.818 CH2OCH2O2H+O2=O2CH2OCH2O2H 7.000E+11 0.000 0.000 O2CH2OCH2O2H=HO2CH2OCHO+OH 1.34E+04 2.934 36274.00 DUP O2CH2OCH2O2H=HO2CH2OCHO+OH 9.380E+10 0.351 17375.716 DUP CH2OCH2O2H=C2H4O2_1+OH 1.360E+13 -0.243 25167.303 CH2OCH2O2H=>OH+CH2O+CH2O 6.02E+10 0.597 23016.00 HO2CH2OCHO=OCH2OCHO+OH 2.000E+16 0.000 40500.000 OCH2OCHO=CH2O+OCHO 1.55E+09 1.254 22343.00 OCH2OCHO=HOCHO+HCO 2.370E+10 0.783 13695.028 OCH2OCHO=C2H3O3r_6 1.86E+05 2.708 25988.00 C2H3O3r_6=C2H2O3_1+H 2.70E+08 1.849 31164.00 C2H3O3r_6=HOCHO+HCO 8.50E+13 -0.295 17170.00 OCH2OCHO=HOCH2OCO 4.01E+08 1.135 15931.0 HOCH2OCO=CO+HOCH2O 5.21E+12 0.441 21183.00 HOCH2OCO=CO2+CH2OH 3.56E+13 0.062 14978.00 !!C2H3O3r_6=HOCHO+HCO 3.390E+16 -1.230 23374.760 !!OCH2OCHO=HOCH2OCO 1.000E+11 0.000 14000.000 !!CH2OH+CO2=HOCH2OCO 1.500E+11 0.000 35720.000 !!HOCH2O+CO=HOCH2OCO 1.500E+11 0.000 4800.000 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! MethylFormate !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! CH3OCHO(+M)=CH3OH+CO(+M) 1.000E+14 0.000 62500.000 LOW/ 6.143E+060 -12.070 75400.0/ TROE/ 7.800E-001 8.280E+009 4.389E+002 6.700E+008/ CH3OCHO+H=CH3OCH2O 1.000E+13 0.000 7838.000 CH3OCHO+O2=CH2OCHO+HO2 2.050E+13 0.000 52000.000 CH3OCHO+O2=CH3OCO+HO2 1.000E+13 0.000 49700.000 CH3OCHO+H=CH2OCHO+H2 2.59E+05 2.600 8405.000 CH3OCHO+H=CH3OCO+H2 9.46E+06 2.078 7661.00 CH3OCHO+HO2=CH3OCO+H2O2 3.00E+02 3.323 14860.00 CH3OCHO+HO2=CH2OCHO+H2O2 4.59E-04 4.778 14956.00 CH3OCHO+O=CH2OCHO+OH 8.15E+03 3.050 5514.00 CH3OCHO+O=CH3OCO+OH 2.755E+05 2.450 2830.000 CH3OCHO+CH3O=CH2OCHO+CH3OH 1.14E+02 3.175 5367.00 CH3OCHO+CH3O=CH3OCO+CH3OH 9.85E+03 2.518 4117.00 CH3OCHO+CH3=CH2OCHO+CH4 2.13E+01 3.433 10107.00 CH3OCHO+CH3=CH3OCO+CH4 6.97E+02 2.976 8721.000 CH3OCHO+OH=CH3OCO+H2O 8.84E+04 2.578 -1914.00 CH3OCHO+OH=CH2OCHO+H2O 3.05E+01 3.479 -2815.00 CH3OCO=CH2OCHO 1.629E+12 -0.180 40670.000 CH3OCO=CH3O+CO 1.11E+12 0.764 22943.00 CH3OCO=CO2+CH3 3.52E+11 0.705 14280.00 CH2OCHO=CH2O+HCO 3.74E+09 1.183 31125.00 CH2OCHO+O2=C2H3O4r_1 8.900E+10 0.230 -1577.438 C2H3O4r_1=C2H2O3_1+OH 5.790E+08 1.300 39698.851 C2H3O4r_1=C2H3O4r_2 1.820E+07 1.190 15009.559 C2H3O4r_2=CO2+CH2O+OH 6.020E+10 0.597 23016.251 C2H3O4r_2=CO+OCH2O2H 6.160E+11 0.806 22490.439 C2H3O4r_2+O2=C2H3O6r 1.200E+11 0.000 -1099.426 C2H3O4r_2=C2H2O3+OH 6.130E+15 -1.080 18451.242 CH3OCO+O2=C2H3O4r_3 1.200E+11 0.000 -1099.426 C2H3O4r_3=C2H3O4r_4 5.680E+08 0.780 21845.123 C2H3O4r_4+O2=C2H3O6r_1 1.030E+11 0.230 -1577.438 C2H2O5=C2HO4r_1+OH 1.500E+16 0.000 42853.726 C2HO4r_1=OCHO+CO2 6.940E+12 0.303 14746.653 C3H6O3_3=CH2O+CH2O+CH2O 1.905E+15 0.00 47500 !! Reaction Family: h abstractions H+C-H H+C2H2O3_1=H2+C2HO3r_1 2.700E+14 0.000 12189.292 H+C2H2O4=H2+C2HO4r_2 1.350E+14 0.000 12189.292 H+C2H2O4_1=H2+C2HO4r_3 1.510E+14 0.000 12643.403 H+C2H4O2_1=H2+C2H3O2r 6.660E+14 0.000 8532.504 H+C2H4O3=H2+C2H3O3r_5 8.280E+13 0.000 13001.911 H+C2H4O3_1=H2+C2H3O3r_3 3.330E+14 0.000 8532.504 H+C2H4O3_1=H2+C2H3O3r_4 2.270E+14 0.000 7433.078 H+C2H4O3_2=H2+C2H3O3r_6 2.130E+14 0.000 11352.772 H+C2H4O3_2=H2+HOCH2OCO 1.410E+14 0.000 14579.349 H+C2H6O2=H2+C2H5O2r_1 1.010E+14 0.000 10396.749 H+C2H6O2=H2+C2H5O2r_2 2.610E+14 0.000 8747.609 H+C3H4O4=H2+C3H3O4r_2 8.280E+13 0.000 13001.911 H+C3H4O4=H2+C3H3O4r_3 1.350E+14 0.000 12189.292 H+C3H4O4_1=H2+C3H3O4r 5.440E+14 0.000 11137.667 H+C3H4O4_2=H2+C3H3O4r_4 3.330E+14 0.000 8532.504 H+C3H4O4_2=H2+C3H3O4r_5 1.410E+14 0.000 14579.349 H+C3H4O4_2=H2+C3H3O4r_6 2.360E+14 0.000 9823.135 H+C3H4O4_3=H2+C3H3O4r_8 1.010E+14 0.000 10396.749 H+C3H4O4_3=H2+C3H3O4r_9 1.930E+14 0.000 12428.298 H+C3H4O4_4=H2+C3H3O4r_1 2.810E+14 0.000 14579.349 H+C3H4O4_4=H2+C3H3O4r_7 2.220E+14 0.000 13742.829 H+C3H6O3=H2+C3H5O3r_3 1.660E+14 0.000 13001.911 H+C3H6O3_1=H2+C3H5O3r 3.330E+14 0.000 8532.504 H+C3H6O3_1=H2+C3H5O3r_1 1.010E+14 0.000 10396.749 H+C3H6O3_1=H2+C3H5O3r_2 2.890E+14 0.000 7217.973 H+C3H6O3_2=H2+C3H5O3r_4 2.720E+14 0.000 11137.667 H+C3H6O3_2=H2+C3H5O3r_6 1.010E+14 0.000 10396.749 H+C3H6O3_2=H2+C3H5O3r_7 1.410E+14 0.000 14579.349 H+C3H6O3_3=H2+C3H5O3r_5 1.000E+15 0.000 8532.504 H+HOCHO=H2+CHO2r_1 1.350E+14 0.000 12189.292 H+CH4O2=H2+CH3O2r_3 2.050E+14 0.000 8962.715 H+C2H2O4=H2+C2HO4r_1 9.160E+13 0.000 17160.611 H+C2H2O4_1=H2+C2HO4r 7.450E+13 0.000 14722.753 H+C2H4O3=H2+C2H3O3r_2 9.130E+13 0.000 17160.611 H+C2H4O3_1=H2+C2H3O3r 7.450E+13 0.000 14722.753 H+C2H4O3_2=H2+OCH2OCHO 7.710E+13 0.000 14722.753 H+C2H6O2=H2+CH3OCH2O 7.710E+13 0.000 14722.753 H+HOCHO=H2+OCHO 8.730E+13 0.000 17160.611 H+CH2O3=H2+CHO3r_1 1.830E+14 0.000 17160.611 H+CH4O2=H2+HOCH2O 1.540E+14 0.000 14722.753 CH2OCHO+C2H2O3=CH3OCHO+C2HO3r 1.230E+11 0.000 16849.903 CH2OCHO+C2H2O3_1=CH3OCHO+C2HO3r_1 3.650E+12 0.000 16467.494 CH2OCHO+C2H2O4=CH3OCHO+C2HO4r_2 1.800E+12 0.000 16467.494 CH2OCHO+C2H2O4_1=CH3OCHO+C2HO4r_3 1.050E+10 0.000 15129.062 CH2OCHO+CH3OCHO=CH3OCHO+CH3OCO 1.110E+12 0.000 17351.815 CH2OCHO+C2H4O2_1=CH3OCHO+C2H3O2r 5.110E+11 0.000 14746.653 CH2OCHO+C2H4O3=CH3OCHO+C2H3O3r_5 3.310E+11 0.000 18140.534 CH2OCHO+C2H4O3_1=CH3OCHO+C2H3O3r_3 2.560E+11 0.000 14746.653 CH2OCHO+C2H4O3_1=CH3OCHO+C2H3O3r_4 2.180E+10 0.000 13025.812 CH2OCHO+C2H4O3_2=CH3OCHO+C2H3O3r_6 2.000E+11 0.000 15965.582 CH2OCHO+C2H4O3_2=CH3OCHO+HOCH2OCO 1.110E+12 0.000 17351.815 CH2OCHO+C2H6O2=CH3OCHO+C2H5O2r_1 4.780E+11 0.000 17088.909 CH2OCHO+C2H6O2=CH3OCHO+C2H5O2r_2 2.890E+11 0.000 14913.957 CH2OCHO+C3H4O4=CH3OCHO+C3H3O4r_2 3.310E+11 0.000 18140.534 CH2OCHO+C3H4O4=CH3OCHO+C3H3O4r_3 1.820E+12 0.000 16467.494 CH2OCHO+C3H4O4_1=CH3OCHO+C3H3O4r 3.540E+11 0.000 15798.278 CH2OCHO+C3H4O4_2=CH3OCHO+C3H3O4r_4 2.560E+11 0.000 14746.653 CH2OCHO+C3H4O4_2=CH3OCHO+C3H3O4r_5 1.110E+12 0.000 17351.815 CH2OCHO+C3H4O4_2=CH3OCHO+C3H3O4r_6 1.330E+10 0.000 13910.133 CH2OCHO+C3H4O4_3=CH3OCHO+C3H3O4r_8 4.780E+11 0.000 17088.909 CH2OCHO+C3H4O4_3=CH3OCHO+C3H3O4r_9 9.240E+09 0.000 14961.758 CH2OCHO+C3H4O4_4=CH3OCHO+C3H3O4r_1 2.230E+12 0.000 17351.815 CH2OCHO+C3H4O4_4=CH3OCHO+C3H3O4r_7 1.230E+11 0.000 16849.903 CH2OCHO+C3H6O3=CH3OCHO+C3H5O3r_3 6.620E+11 0.000 18140.534 CH2OCHO+C3H6O3_1=CH3OCHO+C3H5O3r 2.560E+11 0.000 14746.653 CH2OCHO+C3H6O3_1=CH3OCHO+C3H5O3r_1 4.780E+11 0.000 17088.909 CH2OCHO+C3H6O3_1=CH3OCHO+C3H5O3r_2 1.930E+10 0.000 12858.508 CH2OCHO+C3H6O3_2=CH3OCHO+C3H5O3r_4 1.770E+11 0.000 15798.278 CH2OCHO+C3H6O3_2=CH3OCHO+C3H5O3r_6 4.780E+11 0.000 17088.909 CH2OCHO+C3H6O3_2=CH3OCHO+C3H5O3r_7 1.110E+12 0.000 17351.815 CH2OCHO+C3H6O3_3=CH3OCHO+C3H5O3r_5 7.670E+11 0.000 14746.653 CH2OCHO+C3H8O2=CH3OCHO+C3H7O2r 9.560E+11 0.000 17088.909 CH2OCHO+C3H8O2=CH3OCHO+C3H7O2r_1 2.560E+11 0.000 14746.653 CH2OCHO+HOCHO=CH3OCHO+CHO2r_1 1.820E+12 0.000 16467.494 CH2OCHO+CH4O2=CH3OCHO+CH3O2r_3 3.280E+11 0.000 15081.261 CH2OCHO+CH3OH=CH3OCHO+CH2OH 5.420E+11 0.000 17256.213 CH3OCO+C2H2O3=CH3OCHO+C2HO3r 5.170E+11 0.000 15750.477 CH3OCO+C2H2O3_1=CH3OCHO+C2HO3r_1 1.540E+13 0.000 15368.068 CH3OCO+C2H2O4=CH3OCHO+C2HO4r_2 7.430E+12 0.000 15368.068 CH3OCO+C2H2O4_1=CH3OCHO+C2HO4r_3 4.420E+10 0.000 14029.636 CH3OCO+C2H4O2_1=CH3OCHO+C2H3O2r 2.160E+12 0.000 13647.227 CH3OCO+C2H4O3=CH3OCHO+C2H3O3r_5 1.400E+12 0.000 17041.108 CH3OCO+C2H4O3_1=CH3OCHO+C2H3O3r_3 1.080E+12 0.000 13647.227 CH3OCO+C2H4O3_1=CH3OCHO+C2H3O3r_4 9.200E+10 0.000 11926.386 CH3OCO+C2H4O3_2=CH3OCHO+C2H3O3r_6 8.460E+11 0.000 14866.156 CH3OCO+C2H4O3_2=CH3OCHO+HOCH2OCO 4.700E+12 0.000 16252.389 CH3OCO+C2H6O2=CH3OCHO+C2H5O2r_1 2.020E+12 0.000 15989.483 CH3OCO+C2H6O2=CH3OCHO+C2H5O2r_2 1.220E+12 0.000 13814.531 CH3OCO+C3H4O4=CH3OCHO+C3H3O4r_2 1.400E+12 0.000 17041.108 CH3OCO+C3H4O4=CH3OCHO+C3H3O4r_3 7.690E+12 0.000 15368.068 CH3OCO+C3H4O4_1=CH3OCHO+C3H3O4r 1.490E+12 0.000 14698.852 CH3OCO+C3H4O4_2=CH3OCHO+C3H3O4r_4 1.080E+12 0.000 13647.227 CH3OCO+C3H4O4_2=CH3OCHO+C3H3O4r_5 4.700E+12 0.000 16252.389 CH3OCO+C3H4O4_2=CH3OCHO+C3H3O4r_6 5.630E+10 0.000 12810.707 CH3OCO+C3H4O4_3=CH3OCHO+C3H3O4r_8 2.020E+12 0.000 15989.483 CH3OCO+C3H4O4_3=CH3OCHO+C3H3O4r_9 3.900E+10 0.000 13862.332 CH3OCO+C3H4O4_4=CH3OCHO+C3H3O4r_1 9.410E+12 0.000 16252.389 CH3OCO+C3H4O4_4=CH3OCHO+C3H3O4r_7 5.170E+11 0.000 15750.477 CH3OCO+C3H6O3=CH3OCHO+C3H5O3r_3 2.790E+12 0.000 17041.108 CH3OCO+C3H6O3_1=CH3OCHO+C3H5O3r 1.080E+12 0.000 13647.227 CH3OCO+C3H6O3_1=CH3OCHO+C3H5O3r_1 2.020E+12 0.000 15989.483 CH3OCO+C3H6O3_1=CH3OCHO+C3H5O3r_2 8.120E+10 0.000 11759.082 CH3OCO+C3H6O3_2=CH3OCHO+C3H5O3r_4 7.470E+11 0.000 14698.852 CH3OCO+C3H6O3_2=CH3OCHO+C3H5O3r_6 2.020E+12 0.000 15989.483 CH3OCO+C3H6O3_2=CH3OCHO+C3H5O3r_7 4.700E+12 0.000 16252.389 CH3OCO+C3H6O3_3=CH3OCHO+C3H5O3r_5 3.230E+12 0.000 13647.227 CH3OCO+C3H8O2=CH3OCHO+C3H7O2r 4.040E+12 0.000 15989.483 CH3OCO+C3H8O2=CH3OCHO+C3H7O2r_1 1.080E+12 0.000 13647.227 CH3OCO+CH4O2=CH3OCHO+CH3O2r_3 1.380E+12 0.000 13981.835 CH3OCO+CH3OH=CH3OCHO+CH2OH 2.290E+12 0.000 16156.787 C2H5O2r_1+C2H2O3=C2H6O2+C2HO3r 1.680E+11 0.000 18929.253 C2H5O2r_1+C2H2O3_1=C2H6O2+C2HO3r_1 5.010E+12 0.000 18546.844 C2H5O2r_1+C2H2O4=C2H6O2+C2HO4r_2 2.400E+12 0.000 18546.844 C2H5O2r_1+C2H2O4_1=C2H6O2+C2HO4r_3 1.440E+10 0.000 17208.412 C2H5O2r_1+C2H4O2_1=C2H6O2+C2H3O2r 7.030E+11 0.000 16826.003 C2H5O2r_1+C2H4O3=C2H6O2+C2H3O3r_5 4.550E+11 0.000 20219.884 C2H5O2r_1+C2H4O3_1=C2H6O2+C2H3O3r_3 3.520E+11 0.000 16826.003 C2H5O2r_1+C2H4O3_1=C2H6O2+C2H3O3r_4 3.000E+10 0.000 15105.162 C2H5O2r_1+C2H4O3_2=C2H6O2+C2H3O3r_6 2.760E+11 0.000 18044.932 C2H5O2r_1+C2H4O3_2=C2H6O2+HOCH2OCO 1.530E+12 0.000 19431.165 C2H5O2r_1+C3H4O4=C2H6O2+C3H3O4r_2 4.550E+11 0.000 20219.884 C2H5O2r_1+C3H4O4=C2H6O2+C3H3O4r_3 2.510E+12 0.000 18546.844 C2H5O2r_1+C3H4O4_1=C2H6O2+C3H3O4r 4.870E+11 0.000 17877.628 C2H5O2r_1+C3H4O4_2=C2H6O2+C3H3O4r_4 3.520E+11 0.000 16826.003 C2H5O2r_1+C3H4O4_2=C2H6O2+C3H3O4r_5 1.530E+12 0.000 19431.165 C2H5O2r_1+C3H4O4_2=C2H6O2+C3H3O4r_6 1.840E+10 0.000 15989.483 C2H5O2r_1+C3H4O4_3=C2H6O2+C3H3O4r_8 6.570E+11 0.000 19168.259 C2H5O2r_1+C3H4O4_3=C2H6O2+C3H3O4r_9 1.270E+10 0.000 17041.108 C2H5O2r_1+C3H4O4_4=C2H6O2+C3H3O4r_1 3.060E+12 0.000 19431.165 C2H5O2r_1+C3H4O4_4=C2H6O2+C3H3O4r_7 1.680E+11 0.000 18929.253 C2H5O2r_1+C3H6O3=C2H6O2+C3H5O3r_3 9.100E+11 0.000 20219.884 C2H5O2r_1+C3H6O3_1=C2H6O2+C3H5O3r 3.520E+11 0.000 16826.003 C2H5O2r_1+C3H6O3_1=C2H6O2+C3H5O3r_1 6.570E+11 0.000 19168.259 C2H5O2r_1+C3H6O3_1=C2H6O2+C3H5O3r_2 2.650E+10 0.000 14937.858 C2H5O2r_1+C3H6O3_2=C2H6O2+C3H5O3r_4 2.430E+11 0.000 17877.628 C2H5O2r_1+C3H6O3_2=C2H6O2+C3H5O3r_6 6.570E+11 0.000 19168.259 C2H5O2r_1+C3H6O3_2=C2H6O2+C3H5O3r_7 1.530E+12 0.000 19431.165 C2H5O2r_1+C3H6O3_3=C2H6O2+C3H5O3r_5 1.050E+12 0.000 16826.003 C2H5O2r_1+C3H8O2=C2H6O2+C3H7O2r 1.310E+12 0.000 19168.259 C2H5O2r_1+C3H8O2=C2H6O2+C3H7O2r_1 3.520E+11 0.000 16826.003 C2H5O2r_2+C2H2O3=C2H6O2+C2HO3r 3.180E+09 0.000 16897.705 C2H5O2r_2+C2H2O3_1=C2H6O2+C2HO3r_1 4.850E+11 0.000 17112.810 C2H5O2r_2+C2H2O4=C2H6O2+C2HO4r_2 2.270E+11 0.000 17112.810 C2H5O2r_2+C2H2O4_1=C2H6O2+C2HO4r_3 5.170E+07 0.000 14579.349 C2H5O2r_2+C2H4O2_1=C2H6O2+C2H3O2r 1.330E+10 0.000 14794.454 C2H5O2r_2+C2H4O3=C2H6O2+C2H3O3r_5 4.310E+10 0.000 18785.850 C2H5O2r_2+C2H4O3_1=C2H6O2+C2H3O3r_3 6.640E+09 0.000 14794.454 C2H5O2r_2+C2H4O3_1=C2H6O2+C2H3O3r_4 1.080E+08 0.000 12476.099 C2H5O2r_2+C2H4O3_2=C2H6O2+C2H3O3r_6 5.210E+09 0.000 16013.383 C2H5O2r_2+C2H4O3_2=C2H6O2+HOCH2OCO 1.460E+11 0.000 17997.131 C2H5O2r_2+C2H6O2=C2H6O2+C2H5O2r_1 6.230E+10 0.000 17734.225 C2H5O2r_2+C3H4O4=C2H6O2+C3H3O4r_2 4.310E+10 0.000 18785.850 C2H5O2r_2+C3H4O4=C2H6O2+C3H3O4r_3 2.410E+11 0.000 17112.810 C2H5O2r_2+C3H4O4_1=C2H6O2+C3H3O4r 9.190E+09 0.000 15846.079 C2H5O2r_2+C3H4O4_2=C2H6O2+C3H3O4r_4 6.640E+09 0.000 14794.454 C2H5O2r_2+C3H4O4_2=C2H6O2+C3H3O4r_5 1.460E+11 0.000 17997.131 C2H5O2r_2+C3H4O4_2=C2H6O2+C3H3O4r_6 6.590E+07 0.000 13360.420 C2H5O2r_2+C3H4O4_3=C2H6O2+C3H3O4r_8 6.230E+10 0.000 17734.225 C2H5O2r_2+C3H4O4_3=C2H6O2+C3H3O4r_9 4.570E+07 0.000 14412.045 C2H5O2r_2+C3H4O4_4=C2H6O2+C3H3O4r_1 2.920E+11 0.000 17997.131 C2H5O2r_2+C3H4O4_4=C2H6O2+C3H3O4r_7 3.180E+09 0.000 16897.705 C2H5O2r_2+C3H6O3=C2H6O2+C3H5O3r_3 8.630E+10 0.000 18785.850 C2H5O2r_2+C3H6O3_1=C2H6O2+C3H5O3r 6.640E+09 0.000 14794.454 C2H5O2r_2+C3H6O3_1=C2H6O2+C3H5O3r_1 6.230E+10 0.000 17734.225 C2H5O2r_2+C3H6O3_1=C2H6O2+C3H5O3r_2 9.520E+07 0.000 12308.795 C2H5O2r_2+C3H6O3_2=C2H6O2+C3H5O3r_4 4.600E+09 0.000 15846.079 C2H5O2r_2+C3H6O3_2=C2H6O2+C3H5O3r_6 6.230E+10 0.000 17734.225 C2H5O2r_2+C3H6O3_2=C2H6O2+C3H5O3r_7 1.460E+11 0.000 17997.131 C2H5O2r_2+C3H6O3_3=C2H6O2+C3H5O3r_5 1.990E+10 0.000 14794.454 C2H5O2r_2+C3H8O2=C2H6O2+C3H7O2r 1.270E+11 0.000 17734.225 C2H5O2r_2+C3H8O2=C2H6O2+C3H7O2r_1 6.650E+09 0.000 14794.454 CH3OCH2+C2H2O3=CH3OCH3+C2HO3r 1.680E+11 0.000 18929.253 CH3OCH2+C2H2O3_1=CH3OCH3+C2HO3r_1 4.970E+12 0.000 18546.844 CH3OCH2+C2H2O4=CH3OCH3+C2HO4r_2 2.340E+12 0.000 18546.844 CH3OCH2+C2H2O4_1=CH3OCH3+C2HO4r_3 1.440E+10 0.000 17208.412 CH3OCH2+CH3OCHO=CH3OCH3+CH2OCHO 4.290E+11 0.000 20219.884 CH3OCH2+CH3OCHO=CH3OCH3+CH3OCO 1.480E+12 0.000 19431.165 CH3OCH2+C2H4O2_1=CH3OCH3+C2H3O2r 7.030E+11 0.000 16826.003 CH3OCH2+C2H4O3=CH3OCH3+C2H3O3r_5 4.430E+11 0.000 20219.884 CH3OCH2+C2H4O3_1=CH3OCH3+C2H3O3r_3 3.520E+11 0.000 16826.003 CH3OCH2+C2H4O3_1=CH3OCH3+C2H3O3r_4 3.000E+10 0.000 15105.162 CH3OCH2+C2H4O3_2=CH3OCH3+C2H3O3r_6 2.760E+11 0.000 18044.932 CH3OCH2+C2H4O3_2=CH3OCH3+HOCH2OCO 1.500E+12 0.000 19431.165 CH3OCH2+C2H6O2=CH3OCH3+C2H5O2r_1 6.400E+11 0.000 19168.259 CH3OCH2+C2H6O2=CH3OCH3+C2H5O2r_2 3.980E+11 0.000 16993.307 CH3OCH2+C3H4O4=CH3OCH3+C3H3O4r_2 4.430E+11 0.000 20219.884 CH3OCH2+C3H4O4=CH3OCH3+C3H3O4r_3 2.480E+12 0.000 18546.844 CH3OCH2+C3H4O4_1=CH3OCH3+C3H3O4r 4.870E+11 0.000 17877.628 CH3OCH2+C3H4O4_2=CH3OCH3+C3H3O4r_4 3.520E+11 0.000 16826.003 CH3OCH2+C3H4O4_2=CH3OCH3+C3H3O4r_5 1.500E+12 0.000 19431.165 CH3OCH2+C3H4O4_2=CH3OCH3+C3H3O4r_6 1.840E+10 0.000 15989.483 CH3OCH2+C3H4O4_3=CH3OCH3+C3H3O4r_8 6.400E+11 0.000 19168.259 CH3OCH2+C3H4O4_3=CH3OCH3+C3H3O4r_9 1.270E+10 0.000 17041.108 CH3OCH2+C3H4O4_4=CH3OCH3+C3H3O4r_1 2.990E+12 0.000 19431.165 CH3OCH2+C3H4O4_4=CH3OCH3+C3H3O4r_7 1.680E+11 0.000 18929.253 CH3OCH2+C3H6O3=CH3OCH3+C3H5O3r_3 8.850E+11 0.000 20219.884 CH3OCH2+C3H6O3_1=CH3OCH3+C3H5O3r 3.520E+11 0.000 16826.003 CH3OCH2+C3H6O3_1=CH3OCH3+C3H5O3r_1 6.400E+11 0.000 19168.259 CH3OCH2+C3H6O3_1=CH3OCH3+C3H5O3r_2 2.650E+10 0.000 14937.858 CH3OCH2+C3H6O3_2=CH3OCH3+C3H5O3r_4 2.430E+11 0.000 17877.628 CH3OCH2+C3H6O3_2=CH3OCH3+C3H5O3r_6 6.400E+11 0.000 19168.259 CH3OCH2+C3H6O3_2=CH3OCH3+C3H5O3r_7 1.500E+12 0.000 19431.165 CH3OCH2+C3H6O3_3=CH3OCH3+C3H5O3r_5 1.050E+12 0.000 16826.003 CH3OCH2+C3H8O2=CH3OCH3+C3H7O2r 1.300E+12 0.000 19168.259 CH3OCH2+C3H8O2=CH3OCH3+C3H7O2r_1 3.520E+11 0.000 16826.003 CH3OCH2+HOCHO=CH3OCH3+CHO2r_1 2.490E+12 0.000 18546.844 !!C2H5Or+CH2O=C2H6O+CHOr ERROR: Could not find a GAV corresponding to the a reactive center! Reactant: InChI=1S/CH2O/c1-2/h1H2 Symbol: C CH3OCH2+CH4O2=CH3OCH3+CH3O2r_3 4.510E+11 0.000 17160.611 CH3OCH2+CH3OH=CH3OCH3+CH2OH 7.440E+11 0.000 19335.563 CH3O2r_3+C2H2O3=CH4O2+C2HO3r 5.490E+09 0.000 17375.716 CH3O2r_3+C2H2O3_1=CH4O2+C2HO3r_1 8.370E+11 0.000 17590.821 CH3O2r_3+C2H2O4=CH4O2+C2HO4r_2 3.920E+11 0.000 17590.821 CH3O2r_3+C2H2O4_1=CH4O2+C2HO4r_3 8.920E+07 0.000 15057.361 CH3O2r_3+C2H4O2_1=CH4O2+C2H3O2r 2.290E+10 0.000 15272.466 CH3O2r_3+C2H4O3=CH4O2+C2H3O3r_5 7.450E+10 0.000 19263.861 CH3O2r_3+C2H4O3_1=CH4O2+C2H3O3r_3 1.140E+10 0.000 15272.466 CH3O2r_3+C2H4O3_1=CH4O2+C2H3O3r_4 1.860E+08 0.000 12954.110 CH3O2r_3+C2H4O3_2=CH4O2+C2H3O3r_6 8.980E+09 0.000 16491.395 CH3O2r_3+C2H4O3_2=CH4O2+HOCH2OCO 2.520E+11 0.000 18475.142 CH3O2r_3+C2H6O2=CH4O2+C2H5O2r_1 1.080E+11 0.000 18212.236 CH3O2r_3+C2H6O2=CH4O2+C2H5O2r_2 1.300E+10 0.000 15439.770 CH3O2r_3+C3H4O4=CH4O2+C3H3O4r_2 7.450E+10 0.000 19263.861 CH3O2r_3+C3H4O4=CH4O2+C3H3O4r_3 4.170E+11 0.000 17590.821 CH3O2r_3+C3H4O4_1=CH4O2+C3H3O4r 1.590E+10 0.000 16324.091 CH3O2r_3+C3H4O4_2=CH4O2+C3H3O4r_4 1.140E+10 0.000 15272.466 CH3O2r_3+C3H4O4_2=CH4O2+C3H3O4r_5 2.520E+11 0.000 18475.142 CH3O2r_3+C3H4O4_2=CH4O2+C3H3O4r_6 1.140E+08 0.000 13838.431 CH3O2r_3+C3H4O4_3=CH4O2+C3H3O4r_8 1.080E+11 0.000 18212.236 CH3O2r_3+C3H4O4_3=CH4O2+C3H3O4r_9 7.880E+07 0.000 14890.057 CH3O2r_3+C3H4O4_4=CH4O2+C3H3O4r_1 5.040E+11 0.000 18475.142 CH3O2r_3+C3H4O4_4=CH4O2+C3H3O4r_7 5.490E+09 0.000 17375.716 CH3O2r_3+C3H6O3=CH4O2+C3H5O3r_3 1.490E+11 0.000 19263.861 CH3O2r_3+C3H6O3_1=CH4O2+C3H5O3r 1.140E+10 0.000 15272.466 CH3O2r_3+C3H6O3_1=CH4O2+C3H5O3r_1 1.080E+11 0.000 18212.236 CH3O2r_3+C3H6O3_1=CH4O2+C3H5O3r_2 1.640E+08 0.000 12786.806 CH3O2r_3+C3H6O3_2=CH4O2+C3H5O3r_4 7.930E+09 0.000 16324.091 CH3O2r_3+C3H6O3_2=CH4O2+C3H5O3r_6 1.080E+11 0.000 18212.236 CH3O2r_3+C3H6O3_2=CH4O2+C3H5O3r_7 2.520E+11 0.000 18475.142 CH3O2r_3+C3H6O3_3=CH4O2+C3H5O3r_5 3.430E+10 0.000 15272.466 CH3O2r_3+C3H8O2=CH4O2+C3H7O2r 2.190E+11 0.000 18212.236 CH3O2r_3+C3H8O2=CH4O2+C3H7O2r_1 1.140E+10 0.000 15272.466 CH2OH+C2H2O3=CH3OH+C2HO3r 2.900E+11 0.000 19407.265 CH2OH+C2H2O3_1=CH3OH+C2HO3r_1 8.530E+12 0.000 19024.856 CH2OH+C2H2O4=CH3OH+C2HO4r_2 4.010E+12 0.000 19024.856 CH2OH+C2H2O4_1=CH3OH+C2HO4r_3 2.480E+10 0.000 17686.423 CH2OH+C2H4O2_1=CH3OH+C2H3O2r 1.210E+12 0.000 17304.014 CH2OH+C2H4O3=CH3OH+C2H3O3r_5 7.590E+11 0.000 20697.896 CH2OH+C2H4O3_1=CH3OH+C2H3O3r_3 6.050E+11 0.000 17304.014 CH2OH+C2H4O3_1=CH3OH+C2H3O3r_4 5.170E+10 0.000 15583.173 CH2OH+C2H4O3_2=CH3OH+C2H3O3r_6 4.740E+11 0.000 18522.944 CH2OH+C2H4O3_2=CH3OH+HOCH2OCO 2.570E+12 0.000 19909.177 CH2OH+C2H6O2=CH3OH+C2H5O2r_1 1.100E+12 0.000 19646.270 CH2OH+C2H6O2=CH3OH+C2H5O2r_2 6.850E+11 0.000 17471.318 CH2OH+C3H4O4=CH3OH+C3H3O4r_2 7.590E+11 0.000 20697.896 CH2OH+C3H4O4=CH3OH+C3H3O4r_3 4.250E+12 0.000 19024.856 CH2OH+C3H4O4_1=CH3OH+C3H3O4r 8.380E+11 0.000 18355.640 CH2OH+C3H4O4_2=CH3OH+C3H3O4r_4 6.050E+11 0.000 17304.014 CH2OH+C3H4O4_2=CH3OH+C3H3O4r_5 2.570E+12 0.000 19909.177 CH2OH+C3H4O4_2=CH3OH+C3H3O4r_6 3.160E+10 0.000 16467.494 CH2OH+C3H4O4_3=CH3OH+C3H3O4r_8 1.100E+12 0.000 19646.270 CH2OH+C3H4O4_3=CH3OH+C3H3O4r_9 2.190E+10 0.000 17519.119 CH2OH+C3H4O4_4=CH3OH+C3H3O4r_1 5.140E+12 0.000 19909.177 CH2OH+C3H4O4_4=CH3OH+C3H3O4r_7 2.900E+11 0.000 19407.265 CH2OH+C3H6O3=CH3OH+C3H5O3r_3 1.520E+12 0.000 20697.896 CH2OH+C3H6O3_1=CH3OH+C3H5O3r 6.050E+11 0.000 17304.014 CH2OH+C3H6O3_1=CH3OH+C3H5O3r_1 1.100E+12 0.000 19646.270 CH2OH+C3H6O3_1=CH3OH+C3H5O3r_2 4.570E+10 0.000 15415.869 CH2OH+C3H6O3_2=CH3OH+C3H5O3r_4 4.190E+11 0.000 18355.640 CH2OH+C3H6O3_2=CH3OH+C3H5O3r_6 1.100E+12 0.000 19646.270 CH2OH+C3H6O3_2=CH3OH+C3H5O3r_7 2.570E+12 0.000 19909.177 CH2OH+C3H6O3_3=CH3OH+C3H5O3r_5 1.820E+12 0.000 17304.014 CH2OH+CH4O2=CH3OH+CH3O2r_3 7.760E+11 0.000 17638.622 CH3+C2H2O3=CH4+C2HO3r 1.020E+13 0.000 16108.986 CH3+C2H2O3_1=CH4+C2HO3r_1 5.790E+13 0.000 15129.062 CH3+C2H2O4=CH4+C2HO4r_2 2.900E+13 0.000 15129.062 CH3+C2H2O4_1=CH4+C2HO4r_3 4.590E+12 0.000 14985.659 CH3+C2H4O2_1=CH4+C2H3O2r 4.270E+13 0.000 14005.735 CH3+C2H4O3=CH4+C2H3O3r_5 5.260E+12 0.000 16802.102 CH3+C2H4O3_1=CH4+C2H3O3r_3 2.130E+13 0.000 14005.735 CH3+C2H4O3_1=CH4+C2H3O3r_4 9.570E+12 0.000 12882.408 CH3+C2H4O3_2=CH4+C2H3O3r_6 1.670E+13 0.000 15224.665 CH3+C2H4O3_2=CH4+HOCH2OCO 1.770E+13 0.000 16013.383 CH3+C2H6O2=CH4+C2H5O2r_1 7.600E+12 0.000 15750.477 CH3+C2H6O2=CH4+C2H5O2r_2 2.420E+13 0.000 14173.039 CH3+C3H4O4=CH4+C3H3O4r_2 5.260E+12 0.000 16802.102 CH3+C3H4O4=CH4+C3H3O4r_3 2.900E+13 0.000 15129.062 CH3+C3H4O4_1=CH4+C3H3O4r 2.950E+13 0.000 15057.361 CH3+C3H4O4_2=CH4+C3H3O4r_4 2.130E+13 0.000 14005.735 CH3+C3H4O4_2=CH4+C3H3O4r_5 1.770E+13 0.000 16013.383 CH3+C3H4O4_2=CH4+C3H3O4r_6 5.850E+12 0.000 13766.730 CH3+C3H4O4_3=CH4+C3H3O4r_8 7.600E+12 0.000 15750.477 CH3+C3H4O4_3=CH4+C3H3O4r_9 4.050E+12 0.000 14818.355 CH3+C3H4O4_4=CH4+C3H3O4r_1 3.540E+13 0.000 16013.383 CH3+C3H4O4_4=CH4+C3H3O4r_7 1.020E+13 0.000 16108.986 CH3+C3H6O3=CH4+C3H5O3r_3 1.050E+13 0.000 16802.102 CH3+C3H6O3_1=CH4+C3H5O3r 2.130E+13 0.000 14005.735 CH3+C3H6O3_1=CH4+C3H5O3r_1 7.600E+12 0.000 15750.477 CH3+C3H6O3_1=CH4+C3H5O3r_2 8.450E+12 0.000 12715.104 CH3+C3H6O3_2=CH4+C3H5O3r_4 1.480E+13 0.000 15057.361 CH3+C3H6O3_2=CH4+C3H5O3r_6 7.600E+12 0.000 15750.477 CH3+C3H6O3_2=CH4+C3H5O3r_7 1.770E+13 0.000 16013.383 CH3+C3H6O3_3=CH4+C3H5O3r_5 6.400E+13 0.000 14005.735 CH3+HOCHO=CH4+CHO2r_1 2.900E+13 0.000 15129.062 CH3+CH4O2=CH4+CH3O2r_3 2.740E+13 0.000 14340.343 CHO2r_1+C2H2O3=HOCHO+C2HO3r 8.900E+11 0.000 16228.489 CHO2r_1+C2H2O3_1=HOCHO+C2HO3r_1 2.640E+13 0.000 15846.079 CHO2r_1+C2H2O4=HOCHO+C2HO4r_2 1.240E+13 0.000 15846.079 CHO2r_1+C2H2O4_1=HOCHO+C2HO4r_3 7.600E+10 0.000 14507.647 CHO2r_1+CH3OCHO=HOCHO+CH3OCO 7.870E+12 0.000 16730.401 CHO2r_1+C2H4O2_1=HOCHO+C2H3O2r 3.710E+12 0.000 14125.238 CHO2r_1+C2H4O3=HOCHO+C2H3O3r_5 2.350E+12 0.000 17519.119 CHO2r_1+C2H4O3_1=HOCHO+C2H3O3r_3 1.860E+12 0.000 14125.238 CHO2r_1+C2H4O3_1=HOCHO+C2H3O3r_4 1.580E+11 0.000 12404.397 CHO2r_1+C2H4O3_2=HOCHO+C2H3O3r_6 1.460E+12 0.000 15344.167 CHO2r_1+C2H4O3_2=HOCHO+HOCH2OCO 7.960E+12 0.000 16730.401 CHO2r_1+C2H6O2=HOCHO+C2H5O2r_1 3.400E+12 0.000 16467.494 CHO2r_1+C2H6O2=HOCHO+C2H5O2r_2 2.100E+12 0.000 14292.542 CHO2r_1+C3H4O4=HOCHO+C3H3O4r_2 2.350E+12 0.000 17519.119 CHO2r_1+C3H4O4=HOCHO+C3H3O4r_3 1.320E+13 0.000 15846.079 CHO2r_1+C3H4O4_1=HOCHO+C3H3O4r 2.570E+12 0.000 15176.863 CHO2r_1+C3H4O4_2=HOCHO+C3H3O4r_4 1.860E+12 0.000 14125.238 CHO2r_1+C3H4O4_2=HOCHO+C3H3O4r_5 7.960E+12 0.000 16730.401 CHO2r_1+C3H4O4_2=HOCHO+C3H3O4r_6 9.690E+10 0.000 13288.718 CHO2r_1+C3H4O4_3=HOCHO+C3H3O4r_8 3.400E+12 0.000 16467.494 CHO2r_1+C3H4O4_3=HOCHO+C3H3O4r_9 6.710E+10 0.000 14340.343 CHO2r_1+C3H4O4_4=HOCHO+C3H3O4r_1 1.590E+13 0.000 16730.401 CHO2r_1+C3H4O4_4=HOCHO+C3H3O4r_7 8.900E+11 0.000 16228.489 CHO2r_1+C3H6O3=HOCHO+C3H5O3r_3 4.710E+12 0.000 17519.119 CHO2r_1+C3H6O3_1=HOCHO+C3H5O3r 1.860E+12 0.000 14125.238 CHO2r_1+C3H6O3_1=HOCHO+C3H5O3r_1 3.400E+12 0.000 16467.494 CHO2r_1+C3H6O3_1=HOCHO+C3H5O3r_2 1.400E+11 0.000 12237.093 CHO2r_1+C3H6O3_2=HOCHO+C3H5O3r_4 1.290E+12 0.000 15176.863 CHO2r_1+C3H6O3_2=HOCHO+C3H5O3r_6 3.400E+12 0.000 16467.494 CHO2r_1+C3H6O3_2=HOCHO+C3H5O3r_7 7.960E+12 0.000 16730.401 CHO2r_1+C3H6O3_3=HOCHO+C3H5O3r_5 5.570E+12 0.000 14125.238 CHO2r_1+C3H8O2=HOCHO+C3H7O2r 6.940E+12 0.000 16467.494 CHO2r_1+C3H8O2=HOCHO+C3H7O2r_1 1.860E+12 0.000 14125.238 CHO2r_1+CH4O2=HOCHO+CH3O2r_3 2.380E+12 0.000 14459.846 CHO2r_1+CH3OH=HOCHO+CH2OH 3.930E+12 0.000 16634.798 HCO+C2H2O3=CH2O+C2HO3r 2.550E+13 0.000 25071.700 HCO+C2H2O3_1=CH2O+C2HO3r_1 1.400E+14 0.000 24091.777 HCO+C2H2O4=CH2O+C2HO4r_2 6.580E+13 0.000 24091.777 HCO+C2H2O4_1=CH2O+C2HO4r_3 1.140E+13 0.000 23948.373 HCO+C2H4O2_1=CH2O+C2H3O2r 1.060E+14 0.000 22968.450 HCO+C2H4O3=CH2O+C2H3O3r_5 1.250E+13 0.000 25764.817 HCO+C2H4O3_1=CH2O+C2H3O3r_3 5.320E+13 0.000 22968.450 HCO+C2H4O3_1=CH2O+C2H3O3r_4 2.390E+13 0.000 21845.123 HCO+C2H4O3_2=CH2O+C2H3O3r_6 4.170E+13 0.000 24187.379 HCO+C2H4O3_2=CH2O+HOCH2OCO 4.230E+13 0.000 24976.098 HCO+C2H6O2=CH2O+C2H5O2r_1 1.810E+13 0.000 24713.192 HCO+C2H6O2=CH2O+C2H5O2r_2 6.030E+13 0.000 23135.754 HCO+C3H4O4=CH2O+C3H3O4r_2 1.250E+13 0.000 25764.817 HCO+C3H4O4=CH2O+C3H3O4r_3 6.990E+13 0.000 24091.777 HCO+C3H4O4_1=CH2O+C3H3O4r 7.360E+13 0.000 24020.075 HCO+C3H4O4_2=CH2O+C3H3O4r_4 5.320E+13 0.000 22968.450 HCO+C3H4O4_2=CH2O+C3H3O4r_5 4.230E+13 0.000 24976.098 HCO+C3H4O4_2=CH2O+C3H3O4r_6 1.460E+13 0.000 22729.444 HCO+C3H4O4_3=CH2O+C3H3O4r_8 1.810E+13 0.000 24713.192 HCO+C3H4O4_3=CH2O+C3H3O4r_9 1.010E+13 0.000 23781.069 HCO+C3H4O4_4=CH2O+C3H3O4r_1 8.450E+13 0.000 24976.098 HCO+C3H4O4_4=CH2O+C3H3O4r_7 2.550E+13 0.000 25071.700 HCO+C3H6O3=CH2O+C3H5O3r_3 2.500E+13 0.000 25764.817 HCO+C3H6O3_1=CH2O+C3H5O3r 5.320E+13 0.000 22968.450 HCO+C3H6O3_1=CH2O+C3H5O3r_1 1.810E+13 0.000 24713.192 HCO+C3H6O3_1=CH2O+C3H5O3r_2 2.110E+13 0.000 21677.819 HCO+C3H6O3_2=CH2O+C3H5O3r_4 3.680E+13 0.000 24020.075 HCO+C3H6O3_2=CH2O+C3H5O3r_6 1.810E+13 0.000 24713.192 HCO+C3H6O3_2=CH2O+C3H5O3r_7 4.230E+13 0.000 24976.098 HCO+C3H6O3_3=CH2O+C3H5O3r_5 1.590E+14 0.000 22968.450 HCO+C3H8O2=CH2O+C3H7O2r 3.680E+13 0.000 24713.192 HCO+C3H8O2=CH2O+C3H7O2r_1 5.420E+13 0.000 22968.450 HCO+HOCHO=CH2O+CHO2r_1 7.030E+13 0.000 24091.777 HCO+CH4O2=CH2O+CH3O2r_3 6.810E+13 0.000 23303.058 CH3OCH2O+C2H2O3=C2H6O2+C2HO3r 9.830E+11 0.000 11328.871 CH3OCH2O+C2H2O3_1=C2H6O2+C2HO3r_1 4.280E+12 0.000 7863.288 CH3OCH2O+C2H2O4=C2H6O2+C2HO4r_2 2.140E+12 0.000 7863.288 CH3OCH2O+C2H2O4_1=C2H6O2+C2HO4r_3 1.050E+11 0.000 8938.814 CH3OCH2O+CH3OCHO=C2H6O2+CH2OCHO 2.300E+12 0.000 11400.573 CH3OCH2O+CH3OCHO=C2H6O2+CH3OCO 1.110E+12 0.000 9870.936 CH3OCH2O+C2H4O2_1=C2H6O2+C2H3O2r 5.950E+12 0.000 6835.564 CH3OCH2O+C2H4O3=C2H6O2+C2H3O3r_5 2.300E+12 0.000 11400.573 CH3OCH2O+C2H4O3_1=C2H6O2+C2H3O3r_3 2.970E+12 0.000 6835.564 CH3OCH2O+C2H4O3_1=C2H6O2+C2H3O3r_4 3.170E+11 0.000 4445.506 CH3OCH2O+C2H4O3_2=C2H6O2+C2H3O3r_6 1.890E+12 0.000 9321.223 CH3OCH2O+C2H4O3_2=C2H6O2+HOCH2OCO 1.110E+12 0.000 9870.936 CH3OCH2O+C2H6O2=C2H6O2+C2H5O2r_1 3.990E+12 0.000 9153.919 CH3OCH2O+C2H6O2=C2H6O2+C2H5O2r_2 3.290E+12 0.000 7074.569 CH3OCH2O+CH3OCH3=C2H6O2+CH3OCH2 7.990E+12 0.000 9153.919 CH3OCH2O+C3H4O4=C2H6O2+C3H3O4r_2 2.300E+12 0.000 11400.573 CH3OCH2O+C3H4O4=C2H6O2+C3H3O4r_3 2.140E+12 0.000 7863.288 CH3OCH2O+C3H4O4_1=C2H6O2+C3H3O4r 3.420E+12 0.000 9082.217 CH3OCH2O+C3H4O4_2=C2H6O2+C3H3O4r_4 2.970E+12 0.000 6835.564 CH3OCH2O+C3H4O4_2=C2H6O2+C3H3O4r_5 1.110E+12 0.000 9870.936 CH3OCH2O+C3H4O4_2=C2H6O2+C3H3O4r_6 1.650E+11 0.000 6453.155 CH3OCH2O+C3H4O4_3=C2H6O2+C3H3O4r_8 3.990E+12 0.000 9153.919 CH3OCH2O+C3H4O4_3=C2H6O2+C3H3O4r_9 9.480E+10 0.000 8699.808 CH3OCH2O+C3H4O4_4=C2H6O2+C3H3O4r_1 2.230E+12 0.000 9870.936 CH3OCH2O+C3H4O4_4=C2H6O2+C3H3O4r_7 9.830E+11 0.000 11328.871 CH3OCH2O+C3H6O3=C2H6O2+C3H5O3r_3 4.590E+12 0.000 11400.573 CH3OCH2O+C3H6O3_1=C2H6O2+C3H5O3r 2.970E+12 0.000 6835.564 CH3OCH2O+C3H6O3_1=C2H6O2+C3H5O3r_1 3.990E+12 0.000 9153.919 CH3OCH2O+C3H6O3_1=C2H6O2+C3H5O3r_2 2.870E+11 0.000 4206.501 CH3OCH2O+C3H6O3_2=C2H6O2+C3H5O3r_4 1.710E+12 0.000 9082.217 CH3OCH2O+C3H6O3_2=C2H6O2+C3H5O3r_6 3.990E+12 0.000 9153.919 CH3OCH2O+C3H6O3_2=C2H6O2+C3H5O3r_7 1.110E+12 0.000 9870.936 CH3OCH2O+C3H6O3_3=C2H6O2+C3H5O3r_5 8.920E+12 0.000 6835.564 CH3OCH2O+C3H8O2=C2H6O2+C3H7O2r 7.990E+12 0.000 9153.919 CH3OCH2O+C3H8O2=C2H6O2+C3H7O2r_1 2.970E+12 0.000 6835.564 CH3OCH2O+HOCHO=C2H6O2+CHO2r_1 2.140E+12 0.000 7863.288 CH3OCH2O+CH2O=C2H6O2+HCO 2.110E+13 0.000 15033.460 CH3OCH2O+CH4=C2H6O2+CH3 3.200E+13 0.000 14961.758 CH3OCH2O+CH4O2=C2H6O2+CH3O2r_3 3.640E+12 0.000 7313.575 CH3OCH2O+CH3OH=C2H6O2+CH2OH 4.420E+12 0.000 9392.925 HOCH2O+C2H2O3=CH4O2+C2HO3r 9.830E+11 0.000 11328.871 HOCH2O+C2H2O3_1=CH4O2+C2HO3r_1 4.280E+12 0.000 7863.288 HOCH2O+C2H2O4=CH4O2+C2HO4r_2 2.140E+12 0.000 7863.288 HOCH2O+C2H2O4_1=CH4O2+C2HO4r_3 1.050E+11 0.000 8938.814 HOCH2O+CH3OCHO=CH4O2+CH2OCHO 2.300E+12 0.000 11400.573 HOCH2O+CH3OCHO=CH4O2+CH3OCO 1.110E+12 0.000 9870.936 HOCH2O+C2H4O2_1=CH4O2+C2H3O2r 5.950E+12 0.000 6835.564 HOCH2O+C2H4O3=CH4O2+C2H3O3r_5 2.300E+12 0.000 11400.573 HOCH2O+C2H4O3_1=CH4O2+C2H3O3r_3 2.970E+12 0.000 6835.564 HOCH2O+C2H4O3_1=CH4O2+C2H3O3r_4 3.170E+11 0.000 4445.506 HOCH2O+C2H4O3_2=CH4O2+C2H3O3r_6 1.890E+12 0.000 9321.223 HOCH2O+C2H4O3_2=CH4O2+HOCH2OCO 1.110E+12 0.000 9870.936 HOCH2O+C2H6O2=CH4O2+C2H5O2r_1 3.990E+12 0.000 9153.919 HOCH2O+C2H6O2=CH4O2+C2H5O2r_2 3.290E+12 0.000 7074.569 HOCH2O+CH3OCH3=CH4O2+CH3OCH2 7.990E+12 0.000 9153.919 HOCH2O+C3H4O4=CH4O2+C3H3O4r_2 2.300E+12 0.000 11400.573 HOCH2O+C3H4O4=CH4O2+C3H3O4r_3 2.140E+12 0.000 7863.288 HOCH2O+C3H4O4_1=CH4O2+C3H3O4r 3.420E+12 0.000 9082.217 HOCH2O+C3H4O4_2=CH4O2+C3H3O4r_4 2.970E+12 0.000 6835.564 HOCH2O+C3H4O4_2=CH4O2+C3H3O4r_5 1.110E+12 0.000 9870.936 HOCH2O+C3H4O4_2=CH4O2+C3H3O4r_6 1.650E+11 0.000 6453.155 HOCH2O+C3H4O4_3=CH4O2+C3H3O4r_8 3.990E+12 0.000 9153.919 HOCH2O+C3H4O4_3=CH4O2+C3H3O4r_9 9.480E+10 0.000 8699.808 HOCH2O+C3H4O4_4=CH4O2+C3H3O4r_1 2.230E+12 0.000 9870.936 HOCH2O+C3H4O4_4=CH4O2+C3H3O4r_7 9.830E+11 0.000 11328.871 HOCH2O+C3H6O3=CH4O2+C3H5O3r_3 4.590E+12 0.000 11400.573 HOCH2O+C3H6O3_1=CH4O2+C3H5O3r 2.970E+12 0.000 6835.564 HOCH2O+C3H6O3_1=CH4O2+C3H5O3r_1 3.990E+12 0.000 9153.919 HOCH2O+C3H6O3_1=CH4O2+C3H5O3r_2 2.870E+11 0.000 4206.501 HOCH2O+C3H6O3_2=CH4O2+C3H5O3r_4 1.710E+12 0.000 9082.217 HOCH2O+C3H6O3_2=CH4O2+C3H5O3r_6 3.990E+12 0.000 9153.919 HOCH2O+C3H6O3_2=CH4O2+C3H5O3r_7 1.110E+12 0.000 9870.936 HOCH2O+C3H6O3_3=CH4O2+C3H5O3r_5 8.920E+12 0.000 6835.564 HOCH2O+C3H8O2=CH4O2+C3H7O2r 7.990E+12 0.000 9153.919 HOCH2O+C3H8O2=CH4O2+C3H7O2r_1 2.970E+12 0.000 6835.564 HOCH2O+HOCHO=CH4O2+CHO2r_1 2.140E+12 0.000 7863.288 HOCH2O+CH2O=CH4O2+HCO 2.110E+13 0.000 15033.460 HOCH2O+CH4=CH4O2+CH3 3.220E+13 0.000 14961.758 HOCH2O+CH4O2=CH4O2+CH3O2r_3 3.640E+12 0.000 7313.575 HOCH2O+CH3OH=CH4O2+CH2OH 4.420E+12 0.000 9392.925 CH3O+C2H2O3=CH3OH+C2HO3r 9.380E+11 0.000 11328.871 CH3O+C2H2O3_1=CH3OH+C2HO3r_1 4.020E+12 0.000 7863.288 CH3O+C2H2O4=CH3OH+C2HO4r_2 2.010E+12 0.000 7863.288 CH3O+C2H2O4_1=CH3OH+C2HO4r_3 1.000E+11 0.000 8938.814 CH3O+C2H4O2_1=CH3OH+C2H3O2r 5.670E+12 0.000 6835.564 CH3O+C2H4O3=CH3OH+C2H3O3r_5 2.130E+12 0.000 11400.573 CH3O+C2H4O3_1=CH3OH+C2H3O3r_3 2.830E+12 0.000 6835.564 CH3O+C2H4O3_1=CH3OH+C2H3O3r_4 3.060E+11 0.000 4445.506 CH3O+C2H4O3_2=CH3OH+C2H3O3r_6 1.800E+12 0.000 9321.223 CH3O+C2H4O3_2=CH3OH+HOCH2OCO 1.040E+12 0.000 9870.936 CH3O+C2H6O2=CH3OH+C2H5O2r_1 3.710E+12 0.000 9153.919 CH3O+C2H6O2=CH3OH+C2H5O2r_2 3.140E+12 0.000 7074.569 CH3O+C3H4O4=CH3OH+C3H3O4r_2 2.130E+12 0.000 11400.573 CH3O+C3H4O4=CH3OH+C3H3O4r_3 2.010E+12 0.000 7863.288 CH3O+C3H4O4_1=CH3OH+C3H3O4r 3.260E+12 0.000 9082.217 CH3O+C3H4O4_2=CH3OH+C3H3O4r_4 2.830E+12 0.000 6835.564 CH3O+C3H4O4_2=CH3OH+C3H3O4r_5 1.040E+12 0.000 9870.936 CH3O+C3H4O4_2=CH3OH+C3H3O4r_6 1.570E+11 0.000 6453.155 CH3O+C3H4O4_3=CH3OH+C3H3O4r_8 3.710E+12 0.000 9153.919 CH3O+C3H4O4_3=CH3OH+C3H3O4r_9 9.040E+10 0.000 8699.808 CH3O+C3H4O4_4=CH3OH+C3H3O4r_1 2.070E+12 0.000 9870.936 CH3O+C3H4O4_4=CH3OH+C3H3O4r_7 9.380E+11 0.000 11328.871 CH3O+C3H6O3=CH3OH+C3H5O3r_3 4.260E+12 0.000 11400.573 CH3O+C3H6O3_1=CH3OH+C3H5O3r 2.830E+12 0.000 6835.564 CH3O+C3H6O3_1=CH3OH+C3H5O3r_1 3.710E+12 0.000 9153.919 CH3O+C3H6O3_1=CH3OH+C3H5O3r_2 2.770E+11 0.000 4206.501 CH3O+C3H6O3_2=CH3OH+C3H5O3r_4 1.630E+12 0.000 9082.217 CH3O+C3H6O3_2=CH3OH+C3H5O3r_6 3.710E+12 0.000 9153.919 CH3O+C3H6O3_2=CH3OH+C3H5O3r_7 1.040E+12 0.000 9870.936 CH3O+C3H6O3_3=CH3OH+C3H5O3r_5 8.500E+12 0.000 6835.564 CH3O+HOCHO=CH3OH+CHO2r_1 2.010E+12 0.000 7863.288 CH3O+CH4O2=CH3OH+CH3O2r_3 3.470E+12 0.000 7313.575 OCHO+C2H2O3=HOCHO+C2HO3r 6.600E+11 0.000 11376.672 OCHO+C2H2O3_1=HOCHO+C2HO3r_1 4.460E+12 0.000 6692.160 OCHO+C2H2O4=HOCHO+C2HO4r_2 2.230E+12 0.000 6692.160 OCHO+C2H2O4_1=HOCHO+C2HO4r_3 4.550E+10 0.000 10205.544 OCHO+CH3OCHO=HOCHO+CH2OCHO 2.390E+12 0.000 10229.445 OCHO+CH3OCHO=HOCHO+CH3OCO 1.160E+12 0.000 8699.808 OCHO+C2H4O2_1=HOCHO+C2H3O2r 4.000E+12 0.000 6883.365 OCHO+C2H4O3=HOCHO+C2H3O3r_5 2.390E+12 0.000 10229.445 OCHO+C2H4O3_1=HOCHO+C2H3O3r_3 2.000E+12 0.000 6883.365 OCHO+C2H4O3_1=HOCHO+C2H3O3r_4 1.380E+11 0.000 5712.237 OCHO+C2H4O3_2=HOCHO+C2H3O3r_6 1.270E+12 0.000 9369.024 OCHO+C2H4O3_2=HOCHO+HOCH2OCO 1.160E+12 0.000 8699.808 OCHO+C2H6O2=HOCHO+C2H5O2r_1 4.150E+12 0.000 7982.791 OCHO+C2H6O2=HOCHO+C2H5O2r_2 2.210E+12 0.000 7122.371 OCHO+C3H4O4=HOCHO+C3H3O4r_2 2.390E+12 0.000 10229.445 OCHO+C3H4O4=HOCHO+C3H3O4r_3 2.230E+12 0.000 6692.160 OCHO+C3H4O4_1=HOCHO+C3H3O4r 2.300E+12 0.000 9130.019 OCHO+C3H4O4_2=HOCHO+C3H3O4r_4 2.000E+12 0.000 6883.365 OCHO+C3H4O4_2=HOCHO+C3H3O4r_5 1.160E+12 0.000 8699.808 OCHO+C3H4O4_2=HOCHO+C3H3O4r_6 7.150E+10 0.000 7719.885 OCHO+C3H4O4_3=HOCHO+C3H3O4r_8 4.150E+12 0.000 7982.791 OCHO+C3H4O4_3=HOCHO+C3H3O4r_9 4.110E+10 0.000 9966.539 OCHO+C3H4O4_4=HOCHO+C3H3O4r_1 2.320E+12 0.000 8699.808 OCHO+C3H4O4_4=HOCHO+C3H3O4r_7 6.600E+11 0.000 11376.672 OCHO+C3H6O3=HOCHO+C3H5O3r_3 4.780E+12 0.000 10229.445 OCHO+C3H6O3_1=HOCHO+C3H5O3r 2.000E+12 0.000 6883.365 OCHO+C3H6O3_1=HOCHO+C3H5O3r_1 4.150E+12 0.000 7982.791 OCHO+C3H6O3_1=HOCHO+C3H5O3r_2 1.240E+11 0.000 5473.231 OCHO+C3H6O3_2=HOCHO+C3H5O3r_4 1.150E+12 0.000 9130.019 OCHO+C3H6O3_2=HOCHO+C3H5O3r_6 4.150E+12 0.000 7982.791 OCHO+C3H6O3_2=HOCHO+C3H5O3r_7 1.160E+12 0.000 8699.808 OCHO+C3H6O3_3=HOCHO+C3H5O3r_5 5.990E+12 0.000 6883.365 OCHO+C3H8O2=HOCHO+C3H7O2r 8.310E+12 0.000 7982.791 OCHO+C3H8O2=HOCHO+C3H7O2r_1 2.000E+12 0.000 6883.365 OCHO+HOCHO=HOCHO+CHO2r_1 2.230E+12 0.000 6692.160 OCHO+CH4=HOCHO+CH3 5.240E+13 0.000 12571.701 OCHO+CH4O2=HOCHO+CH3O2r_3 2.440E+12 0.000 7361.376 OCHO+CH3OH=HOCHO+CH2OH 4.590E+12 0.000 8221.797 !! Reaction Family: h abstractions OH+CH3 - Sivaramakrishnan and Michael 2009 OH+C2H4O3=H2O+C2H3O3r_5 1.360E+07 1.813 740.918 OH+C2H6O2=H2O+C2H5O2r_1 1.360E+07 1.813 740.918 OH+C3H4O4=H2O+C3H3O4r_2 1.360E+07 1.813 740.918 OH+C3H4O4_3=H2O+C3H3O4r_8 1.360E+07 1.813 740.918 OH+C3H6O3=H2O+C3H5O3r_3 2.730E+07 1.813 740.918 OH+C3H6O3_1=H2O+C3H5O3r_1 1.360E+07 1.813 740.918 OH+C3H6O3_2=H2O+C3H5O3r_6 1.360E+07 1.813 740.918 OH+C2H2O3=H2O+C2HO3r 5.720E+06 1.811 -1003.824 OH+C2H4O2_1=H2O+C2H3O2r 1.140E+07 1.811 -1003.824 OH+C2H4O3_1=H2O+C2H3O3r_3 5.720E+06 1.811 -1003.824 OH+C2H4O3_2=H2O+C2H3O3r_6 5.720E+06 1.811 -1003.824 OH+C2H6O2=H2O+C2H5O2r_2 5.720E+06 1.811 -1003.824 OH+C3H4O4_1=H2O+C3H3O4r 1.140E+07 1.811 -1003.824 OH+C3H4O4_2=H2O+C3H3O4r_4 5.720E+06 1.811 -1003.824 OH+C3H4O4_4=H2O+C3H3O4r_7 5.720E+06 1.811 -1003.824 OH+C3H6O3_1=H2O+C3H5O3r 5.720E+06 1.811 -1003.824 OH+C3H6O3_2=H2O+C3H5O3r_4 5.720E+06 1.811 -1003.824 OH+C3H6O3_3=H2O+C3H5O3r_5 1.720E+07 1.811 -1003.824 OH+CH4O2=H2O+CH3O2r_3 5.720E+06 1.811 -1003.824 !! Reaction Family: h abstractions OH+C=R - Cai et al OH+C2H2O3_1=H2O+C2HO3r_1 3.580E+10 0.760 -334.608 OH+C2H2O4=H2O+C2HO4r_2 3.580E+10 0.760 -334.608 OH+C2H4O3_2=H2O+HOCH2OCO 3.580E+10 0.760 -334.608 OH+C3H4O4=H2O+C3H3O4r_3 3.580E+10 0.760 -334.608 OH+C3H4O4_2=H2O+C3H3O4r_5 3.580E+10 0.760 -334.608 OH+C3H4O4_4=H2O+C3H3O4r_1 3.580E+10 0.760 -334.608 OH+C3H6O3_2=H2O+C3H5O3r_7 3.580E+10 0.760 -334.608 OH+HOCHO=H2O+CHO2r_1 3.580E+10 0.760 -334.608 OH+C2H2O4_1=H2O+C2HO4r_3 4.840E+06 1.840 -1003.824 OH+C2H4O3_1=H2O+C2H3O3r_4 4.840E+06 1.840 -1003.824 OH+C3H4O4_2=H2O+C3H3O4r_6 4.840E+06 1.840 -1003.824 OH+C3H4O4_3=H2O+C3H3O4r_9 4.840E+06 1.840 -1003.824 OH+C3H6O3_1=H2O+C3H5O3r_2 4.840E+06 1.840 -1003.824 !! Reaction Family: h abstractions HO2+CH3 - Cai et al. (2016) HO2+C2H4O3=H2O2+C2H3O3r_5 6.630E+00 3.590 17160.611 HO2+C2H6O2=H2O2+C2H5O2r_1 6.630E+00 3.590 17160.611 HO2+C3H4O4=H2O2+C3H3O4r_2 6.630E+00 3.590 17160.611 HO2+C3H4O4_3=H2O2+C3H3O4r_8 6.630E+00 3.590 17160.611 HO2+C3H6O3=H2O2+C3H5O3r_3 6.630E+00 3.590 17160.611 HO2+C3H6O3_1=H2O2+C3H5O3r_1 6.630E+00 3.590 17160.611 HO2+C3H6O3_2=H2O2+C3H5O3r_6 6.630E+00 3.590 17160.611 HO2+C2H2O3=H2O2+C2HO3r 1.260E+02 3.370 13718.928 HO2+C2H4O2_1=H2O2+C2H3O2r 1.260E+02 3.370 13718.928 HO2+C2H4O3_1=H2O2+C2H3O3r_3 1.260E+02 3.370 13718.928 HO2+C2H4O3_2=H2O2+C2H3O3r_6 1.260E+02 3.370 13718.928 HO2+C2H6O2=H2O2+C2H5O2r_2 1.260E+02 3.370 13718.928 HO2+C3H4O4_1=H2O2+C3H3O4r 1.260E+02 3.370 13718.928 HO2+C3H4O4_2=H2O2+C3H3O4r_4 1.260E+02 3.370 13718.928 HO2+C3H4O4_4=H2O2+C3H3O4r_7 1.260E+02 3.370 13718.928 HO2+C3H6O3_1=H2O2+C3H5O3r 1.260E+02 3.370 13718.928 HO2+C3H6O3_2=H2O2+C3H5O3r_4 1.260E+02 3.370 13718.928 HO2+C3H6O3_3=H2O2+C3H5O3r_5 1.260E+02 3.370 13718.928 HO2+CH4O2=H2O2+CH3O2r_3 1.260E+02 3.370 13718.928 !! Reaction Family: h abstractions HO2+C=R - Cai et al. not optimized (2016) HO2+C2H2O3_1=H2O2+C2HO3r_1 2.800E+12 0.000 13599.426 HO2+C2H2O4=H2O2+C2HO4r_2 2.800E+12 0.000 13599.426 HO2+C2H4O3_2=H2O2+HOCH2OCO 2.800E+12 0.000 13599.426 HO2+C3H4O4=H2O2+C3H3O4r_3 2.800E+12 0.000 13599.426 HO2+C3H4O4_2=H2O2+C3H3O4r_5 2.800E+12 0.000 13599.426 HO2+C3H4O4_4=H2O2+C3H3O4r_1 2.800E+12 0.000 13599.426 HO2+C3H6O3_2=H2O2+C3H5O3r_7 2.800E+12 0.000 13599.426 HO2+HOCHO=H2O2+CHO2r_1 2.800E+12 0.000 13599.426 HO2+C2H2O4_1=H2O2+C2HO4r_3 6.500E+02 3.010 12093.690 HO2+C2H4O3_1=H2O2+C2H3O3r_4 6.500E+02 3.010 12093.690 HO2+C3H4O4_2=H2O2+C3H3O4r_6 6.500E+02 3.010 12093.690 HO2+C3H4O4_3=H2O2+C3H3O4r_9 6.500E+02 3.010 12093.690 HO2+C3H6O3_1=H2O2+C3H5O3r_2 6.500E+02 3.010 12093.690 !! Reaction Family: h abstractions O+CH3 - Cai et al. (2016) O+C2H4O3=OH+C2H3O3r_5 1.960E+12 2.430 4756.214 O+C2H6O2=OH+C2H5O2r_1 1.960E+12 2.430 4756.214 O+C3H4O4=OH+C3H3O4r_2 1.960E+12 2.430 4756.214 O+C3H4O4_3=OH+C3H3O4r_8 1.960E+12 2.430 4756.214 O+C3H6O3=OH+C3H5O3r_3 1.960E+12 2.430 4756.214 O+C3H6O3_1=OH+C3H5O3r_1 1.960E+12 2.430 4756.214 O+C3H6O3_2=OH+C3H5O3r_6 1.960E+12 2.430 4756.214 O+C2H2O3=OH+C2HO3r 1.100E+06 2.450 2820.268 O+C2H4O2_1=OH+C2H3O2r 1.100E+06 2.450 2820.268 O+C2H4O3_1=OH+C2H3O3r_3 1.100E+06 2.450 2820.268 O+C2H4O3_2=OH+C2H3O3r_6 1.100E+06 2.450 2820.268 O+C2H6O2=OH+C2H5O2r_2 1.100E+06 2.450 2820.268 O+C3H4O4_1=OH+C3H3O4r 1.100E+06 2.450 2820.268 O+C3H4O4_2=OH+C3H3O4r_4 1.100E+06 2.450 2820.268 O+C3H4O4_4=OH+C3H3O4r_7 1.100E+06 2.450 2820.268 O+C3H6O3_1=OH+C3H5O3r 1.100E+06 2.450 2820.268 O+C3H6O3_2=OH+C3H5O3r_4 1.100E+06 2.450 2820.268 O+C3H6O3_3=OH+C3H5O3r_5 1.100E+06 2.450 2820.268 O+CH4O2=OH+CH3O2r_3 1.100E+06 2.450 2820.268 !! Reaction Family: h abstractions O+C=R - Cai et al.(2016) O+C2H2O3_1=OH+C2HO3r_1 5.000E+12 0.000 1792.543 O+C2H2O4=OH+C2HO4r_2 5.000E+12 0.000 1792.543 O+C2H4O3_2=OH+HOCH2OCO 5.000E+12 0.000 1792.543 O+C3H4O4=OH+C3H3O4r_3 5.000E+12 0.000 1792.543 O+C3H4O4_2=OH+C3H3O4r_5 5.000E+12 0.000 1792.543 O+C3H4O4_4=OH+C3H3O4r_1 5.000E+12 0.000 1792.543 O+C3H6O3_2=OH+C3H5O3r_7 5.000E+12 0.000 1792.543 O+HOCHO=OH+CHO2r_1 5.000E+12 0.000 1792.543 O+C2H2O4_1=OH+C2HO4r_3 3.970E+05 2.401 1147.227 O+C2H4O3_1=OH+C2H3O3r_4 3.970E+05 2.401 1147.227 O+C3H4O4_2=OH+C3H3O4r_6 3.970E+05 2.401 1147.227 O+C3H4O4_3=OH+C3H3O4r_9 3.970E+05 2.401 1147.227 O+C3H6O3_1=OH+C3H5O3r_2 3.970E+05 2.401 1147.227 !! Reaction Family: h abstractions O2+CH3 - Cai 2016 O2+C2H4O3=HO2+C2H3O3r_5 5.940E+12 0.000 52294.452 O2+C2H6O2=HO2+C2H5O2r_1 5.940E+12 0.000 52294.452 O2+C3H4O4=HO2+C3H3O4r_2 5.940E+12 0.000 52294.452 O2+C3H4O4_3=HO2+C3H3O4r_8 5.940E+12 0.000 52294.452 O2+C3H6O3=HO2+C3H5O3r_3 5.940E+12 0.000 52294.452 O2+C3H6O3_1=HO2+C3H5O3r_1 5.940E+12 0.000 52294.452 O2+C3H6O3_2=HO2+C3H5O3r_6 5.940E+12 0.000 52294.452 O2+C2H2O3=HO2+C2HO3r 1.340E+13 0.000 49641.489 O2+C2H4O2_1=HO2+C2H3O2r 1.340E+13 0.000 49641.489 O2+C2H4O3_1=HO2+C2H3O3r_3 1.340E+13 0.000 49641.489 O2+C2H4O3_2=HO2+C2H3O3r_6 1.340E+13 0.000 49641.489 O2+C2H6O2=HO2+C2H5O2r_2 1.340E+13 0.000 49641.489 O2+C3H4O4_1=HO2+C3H3O4r 1.340E+13 0.000 49641.489 O2+C3H4O4_2=HO2+C3H3O4r_4 1.340E+13 0.000 49641.489 O2+C3H4O4_4=HO2+C3H3O4r_7 1.340E+13 0.000 49641.489 O2+C3H6O3_1=HO2+C3H5O3r 1.340E+13 0.000 49641.489 O2+C3H6O3_2=HO2+C3H5O3r_4 1.340E+13 0.000 49641.489 O2+C3H6O3_3=HO2+C3H5O3r_5 1.340E+13 0.000 49641.489 O2+CH4O2=HO2+CH3O2r_3 1.340E+13 0.000 49641.489 !! Reaction Family: h abstractions O2+C= - TEST O2+C2H2O3_1=HO2+C2HO3r_1 2.000E+13 0.500 42208.411 O2+C2H2O4=HO2+C2HO4r_2 2.000E+13 0.500 42208.411 O2+C2H4O3_2=HO2+HOCH2OCO 2.000E+13 0.500 42208.411 O2+C3H4O4=HO2+C3H3O4r_3 2.000E+13 0.500 42208.411 O2+C3H4O4_2=HO2+C3H3O4r_5 2.000E+13 0.500 42208.411 O2+C3H4O4_4=HO2+C3H3O4r_1 2.000E+13 0.500 42208.411 O2+C3H6O3_2=HO2+C3H5O3r_7 2.000E+13 0.500 42208.411 O2+HOCHO=HO2+CHO2r_1 2.000E+13 0.500 42208.411 O2+C2H2O4_1=HO2+C2HO4r_3 7.000E+12 0.000 47992.349 O2+C2H4O3_1=HO2+C2H3O3r_4 7.000E+12 0.000 47992.349 O2+C3H4O4_2=HO2+C3H3O4r_6 7.000E+12 0.000 47992.349 O2+C3H4O4_3=HO2+C3H3O4r_9 7.000E+12 0.000 47992.349 O2+C3H6O3_1=HO2+C3H5O3r_2 7.000E+12 0.000 47992.349 !! Reaction Family: Carbon-Oxygen Beta Scission *C-O-C(=O) C2H3O3r_5=CH2O+CHO2r_1 6.780E+16 -1.230 23374.760 C2H3O4r_11=HCO+HO2CHO 3.390E+16 -1.230 23374.760 C2HO3r=C2HO3r_1 6.780E+16 -1.230 23374.760 C2HO3r_1=HCO+CO2 3.390E+16 -1.230 23374.760 C2HO4r_2=CO2+CHO2r_1 3.390E+16 -1.230 23374.760 C2HO4r_3=C2HO4r_2 6.780E+16 -1.230 23374.760 C3H3O4r=C3H3O4r_1 3.390E+16 -1.230 23374.760 C3H3O4r_2=CH2O+C2HO3r_1 6.780E+16 -1.230 23374.760 C3H3O4r_3=CH3OCO+CO2 3.390E+16 -1.230 23374.760 C3H3O4r_6=HCO+C2H2O3 6.780E+16 -1.230 23374.760 C3H3O4r_7=HCO+C2H2O3_1 6.780E+16 -1.230 23374.760 C3H3O4r_9=C3H3O4r_3 2.030E+17 -1.230 23374.760 C3H3O6r_10=CH2O+C2HO5r_2 6.780E+16 -1.230 23374.760 C3H3O6r_5=CO2+C2H3O4r_2 3.390E+16 -1.230 23374.760 C3H5O3r_3=CH2O+CH3OCO 6.780E+16 -1.230 23374.760 C3H5O3r_4=CH3OCHO+HCO 1.020E+17 -1.230 23374.760 C3H5O5r_1=CH2O+C2H3O4r_2 6.780E+16 -1.230 23374.760 !! Reaction Family: Carbon-Oxygen Beta Scission *C-O-C(=O)-O-O-H !!C2H3O4r_4=CH2O+CO2+OH 0.000E00 0.000 0.000 !!C2HO5r_2=CO2+CO2+OH 0.000E00 0.000 0.000 !!C3H3O6r_7=C2H2O3_1+CO2+OH 0.000E00 0.000 0.000 !!C3H5O5r_19=CH3OCHO+CO2+OH 0.000E00 0.000 0.000 !! Reaction Family: Carbon-Oxygen Beta Scission *C-O-C C2H3O2r=CH2OCHO 4.980E+14 -0.043 24737.092 C2H3O3r_3=C2H3O3r_6 4.980E+14 -0.043 24737.092 C2H3O3r_4=C2H3O3r_5 4.980E+14 -0.043 24737.092 C2H5O2r_1=CH2O+CH2OH 4.980E+14 -0.043 24737.092 C2H5O2r_2=CH3+HOCHO 7.470E+14 -0.043 24737.092 C2H5O3r_5=CH3+HO2CHO 7.470E+14 -0.043 24737.092 C3H3O4r=C3H3O4r_2 2.490E+14 -0.043 24737.092 C3H3O4r_4=C3H3O4r_7 4.980E+14 -0.043 24737.092 C3H3O4r_5=CO2+C2H3O2r 2.490E+14 -0.043 24737.092 C3H3O4r_6=C3H3O4r_2 4.980E+14 -0.043 24737.092 C3H3O4r_8=CH2O+C2HO3r 4.980E+14 -0.043 24737.092 C3H3O4r_9=CH3+C2O4 4.980E+14 -0.043 24737.092 C3H3O6r_14=CO2+C2H3O4r_10 2.490E+14 -0.043 24737.092 C3H3O6r_15=CO2+C2H3O4r_10 2.490E+14 -0.043 24737.092 C3H5O3r=C3H5O3r_4 1.490E+15 -0.043 24737.092 C3H5O3r_1=CH2O+C2H3O2r 4.980E+14 -0.043 24737.092 C3H5O3r_2=C3H5O3r_3 1.490E+15 -0.043 24737.092 C3H5O3r_2=CH3+C2H2O3 4.980E+14 -0.043 24737.092 C3H5O3r_4=CH3+C2H2O3_1 7.470E+14 -0.043 24737.092 C3H5O3r_5=C3H5O3r_6 4.980E+14 -0.043 24737.092 C3H5O3r_6=CH2O+CH2OCHO 4.980E+14 -0.043 24737.092 C3H5O3r_7=CH3OCH2+CO2 2.490E+14 -0.043 24737.092 C3H5O5r_17=CO2+CH2OCH2O2H 2.490E+14 -0.043 24737.092 C3H5O5r_20=CH2O+C2H3O4r_4 4.980E+14 -0.043 24737.092 C3H5O5r_4=CH2O+C2H3O4r_10 4.980E+14 -0.043 24737.092 C3H5O5r_5=CH2O+C2H3O4r_10 4.980E+14 -0.043 24737.092 !! Reaction Family: Carbon-Oxygen Beta Scission *C-O-C-O-O-H C2H3O4r_10=C2H2O3_1+OH 1.200E+11 0.597 23016.251 C2H3O5r_5=CO2+HOCHO+OH 6.020E+10 0.597 23016.251 C2H3O5r_6=CO2+HOCHO+OH 6.020E+10 0.597 23016.251 C2H5O4r_2=CH2O+HOCHO+OH 1.200E+11 0.597 23016.251 C2H5O4r_3=CH2O+HOCHO+OH 1.200E+11 0.597 23016.251 C3H5O5r_10=CH2O+C2H2O3_1+OH 1.200E+11 0.597 23016.251 C3H5O5r_11=CH3OCHO+CO2+OH 1.810E+11 0.597 23016.251 C3H5O5r_13=C3H4O4_4+OH 6.020E+10 0.597 23016.251 C3H5O5r_14=C3H4O4_4+OH 6.020E+10 0.597 23016.251 C3H5O5r_16=C2H2O3_1+CH2O+OH 6.020E+10 0.597 23016.251 C3H5O5r_8=CH2O+C2H2O3_1+OH 1.200E+11 0.597 23016.251 C3H5O5r_9=CH3OCHO+CO2+OH 1.810E+11 0.597 23016.251 !! Reaction Family: O-C-O beta-scission C2H3O3r=OCH2OCHO 4.660E+13 0.159 23398.660 C2H3O4r_5=CH2O+CHO3r_1 2.330E+13 0.159 23398.660 C2H3O4r_6=C2H3O4r_8 4.660E+13 0.159 23398.660 C2H3O4r_6=C2H3O4r_9 4.660E+13 0.159 23398.660 C2H3O4r_7=C2H3O4r_8 4.660E+13 0.159 23398.660 C2H3O4r_7=C2H3O4r_9 4.660E+13 0.159 23398.660 C2H3O4r_8=C2H2O3_1+OH 2.330E+13 0.159 23398.660 C2H3O4r_8=OCHO+HOCHO 2.330E+13 0.159 23398.660 C2H3O4r_9=C2H2O3_1+OH 2.330E+13 0.159 23398.660 C2H3O4r_9=OCHO+HOCHO 2.330E+13 0.159 23398.660 C2H5O3r_2=CH3OCHO+OH 6.990E+13 0.159 23398.660 C2H5O3r_2=CH3O+HOCHO 6.990E+13 0.159 23398.660 C2H5O3r_3=CH3OCHO+OH 6.990E+13 0.159 23398.660 C2H5O3r_3=CH3O+HOCHO 6.990E+13 0.159 23398.660 C2H5O3r_4=HOCH2O+CH2O 2.330E+13 0.159 23398.660 C2HO4r=C2HO4r_1 4.660E+13 0.159 23398.660 C3H3O5r=C3H3O5r_1 2.330E+13 0.159 23398.660 C3H3O5r=C3H3O5r_2 2.330E+13 0.159 23398.660 C3H3O5r_1=C2HO4r_1+CH2O 2.330E+13 0.159 23398.660 C3H3O5r_3=C3H3O5r_1 2.330E+13 0.159 23398.660 C3H3O5r_3=C3H3O5r_2 2.330E+13 0.159 23398.660 C3H3O5r_4=C3H3O5r_6 4.660E+13 0.159 23398.660 C3H3O5r_5=C3H3O5r_6 4.660E+13 0.159 23398.660 C3H3O5r_6=OCHO+C2H2O3_1 4.660E+13 0.159 23398.660 C3H3O5r_7=CH2O+C2HO4r 4.660E+13 0.159 23398.660 C3H5O4r_1=CH2O+C2H3O3r 4.660E+13 0.159 23398.660 C3H5O4r_2=C3H5O4r_4 1.400E+14 0.159 23398.660 C3H5O4r_2=C3H5O4r_5 1.400E+14 0.159 23398.660 C3H5O4r_3=C3H5O4r_4 1.400E+14 0.159 23398.660 C3H5O4r_3=C3H5O4r_5 1.400E+14 0.159 23398.660 C3H5O4r_6=C3H5O4r_7 4.660E+13 0.159 23398.660 C3H7O3r=CH3O+CH3OCHO 9.320E+13 0.159 23398.660 C3H7O3r_1=CH3OCH2O+CH2O 6.990E+13 0.159 23398.660 CH3O3r_2=HOCHO+OH 4.660E+13 0.159 23398.660 !! Reaction Family: EXTRA betascission C2H3O4r_5=HCO+CH2O3 4.740E+10 0.783 13695.028 C2H3O5r_9=HCO+CH2O4 4.740E+10 0.783 13695.028 C3H3O5r_1=C2H2O4+HCO 4.740E+10 0.783 13695.028 !! Reaction Family: CO2 Beta Scission C3H3O4r_1=CH2OCHO+CO2 3.520E+11 0.705 14292.542 C3H3O6r_17=C2H2O3_1+OH+CO2 3.520E+11 0.705 14292.542 C3H3O6r_18=C2H2O3_1+OH+CO2 3.520E+11 0.705 14292.542 C3H3O6r_8=CO2+C2H3O4r_4 3.520E+11 0.705 14292.542 !! Reaction Family: CO2 Beta Scission part 2 C2H3O4r_12=HOCH2O+CO2 6.940E+12 0.303 14746.653 C2H3O5r_8=OCH2O2H+CO2 6.940E+12 0.303 14746.653 C2HO5r_3=CHO3r_1+CO2 6.940E+12 0.303 14746.653 C3H3O5r_2=OCH2OCHO+CO2 6.940E+12 0.303 14746.653 C3H3O5r_8=C2H3O3r_2+CO2 6.940E+12 0.303 14746.653 C3H3O5r_9=C2H3O3r+CO2 6.940E+12 0.303 14746.653 C3H5O4r_8=CH3OCH2O+CO2 6.940E+12 0.303 14746.653 CHO3r_1=CO2+OH 6.940E+12 0.303 14746.653 CHO4r_1=CO2+HO2 6.940E+12 0.303 14746.653 !! Reaction Family: CO Alpha Scission OC*=O C2H3O5r_5=CO+CH3O4r_1 6.160E+11 0.806 22490.439 C2H3O5r_6=CO+CH3O4r_2 6.160E+11 0.806 22490.439 C2HO3r_1=OCHO+CO 6.160E+11 0.806 22490.439 C2HO4r_2=CO+CHO3r_1 6.160E+11 0.806 22490.439 C2HO5r_2=CO+CHO4r_1 6.160E+11 0.806 22490.439 C3H3O4r_1=OCH2OCHO+CO 6.160E+11 0.806 22490.439 C3H3O4r_3=C2H3O3r_2+CO 6.160E+11 0.806 22490.439 C3H3O4r_5=CO+C2H3O3r 6.160E+11 0.806 22490.439 C3H3O6r_14=CO+C2H3O5r_10 6.160E+11 0.806 22490.439 C3H3O6r_15=CO+C2H3O5r_11 6.160E+11 0.806 22490.439 C3H3O6r_17=C2H3O5r_13+CO 6.160E+11 0.806 22490.439 C3H3O6r_18=C2H3O5r_12+CO 6.160E+11 0.806 22490.439 C3H3O6r_5=CO+C2H3O5r_8 6.160E+11 0.806 22490.439 C3H3O6r_8=CO+C2H3O5r_9 6.160E+11 0.806 22490.439 C3H5O3r_7=CH3OCH2O+CO 6.160E+11 0.806 22490.439 C3H5O5r_11=C2H5O4r_6+CO 6.160E+11 0.806 22490.439 C3H5O5r_17=CO+C2H5O4r_7 6.160E+11 0.806 22490.439 C3H5O5r_9=C2H5O4r_5+CO 6.160E+11 0.806 22490.439 CHO2r_1=CO+OH 6.160E+11 0.806 22490.439 CHO3r_2=CO+HO2 6.160E+11 0.806 22490.439 !! Reaction Family: fuel isomerization !! Reaction Family: Q*OOH+O2->*OOQOOH primary radical - Cai et al. 2016 C2H5O4r_2+O2=C2H5O6r 1.030E+11 0.230 -1577.438 C2H5O4r_3+O2=C2H5O6r_1 1.030E+11 0.230 -1577.438 !! Reaction Family: Q*OOH+O2->*OOQOOH secondary radical - Cai et al. 2016 C2H3O4r_10+O2=C2H3O6r_2 4.450E+14 -0.920 -119.503 C2H3O4r_10+O2=C2H3O6r_3 4.450E+14 -0.920 -119.503 !! Reaction Family: Q*OOH+O2->*OOQOOH C*=O radical - Bugler et al. !! Reaction Family: R*+O2->ROO* primary radical - Cai et al. 2016 C2H3O3r_5+O2=C2H3O5r 8.900E+10 0.230 -1577.438 C2H5O2r_1+O2=C2H5O4r_4 8.900E+10 0.230 -1577.438 C3H3O4r_2+O2=C3H3O6r_4 8.900E+10 0.230 -1577.438 C3H3O4r_8+O2=C3H3O6r_19 8.900E+10 0.230 -1577.438 C3H5O3r_1+O2=C3H5O5r_2 8.900E+10 0.230 -1577.438 C3H5O3r_3+O2=C3H5O5r 8.900E+10 0.230 -1577.438 C3H5O3r_6+O2=C3H5O5r_15 8.900E+10 0.230 -1577.438 CH2OH+O2=HOCH2O2 8.900E+10 0.230 -1577.438 !! Reaction Family: R*+O2->ROO* secondary radical - Cai et al. 2016 C2H3O2r+O2=C2H3O4r 1.040E+15 -0.920 -119.503 C2H3O3r_3+O2=C2H3O5r_1 1.040E+15 -0.920 -119.503 C2H3O3r_3+O2=C2H3O5r_2 1.040E+15 -0.920 -119.503 C2H3O3r_6+O2=C2H3O5r_3 1.040E+15 -0.920 -119.503 C2H3O3r_6+O2=C2H3O5r_4 1.040E+15 -0.920 -119.503 C2H5O2r_2+O2=C2H5O4r 1.040E+15 -0.920 -119.503 C2H5O2r_2+O2=C2H5O4r_1 1.040E+15 -0.920 -119.503 C2HO3r+O2=C2HO5r 1.040E+15 -0.920 -119.503 C3H3O4r+O2=C3H3O6r 1.040E+15 -0.920 -119.503 C3H3O4r+O2=C3H3O6r_1 1.040E+15 -0.920 -119.503 C3H3O4r_4+O2=C3H3O6r_12 1.040E+15 -0.920 -119.503 C3H3O4r_4+O2=C3H3O6r_13 1.040E+15 -0.920 -119.503 C3H3O4r_7+O2=C3H3O6r_16 1.040E+15 -0.920 -119.503 C3H5O3r+O2=C3H5O5r_3 1.040E+15 -0.920 -119.503 C3H5O3r_4+O2=C3H5O5r_6 1.040E+15 -0.920 -119.503 C3H5O3r_4+O2=C3H5O5r_7 1.040E+15 -0.920 -119.503 C3H5O3r_5+O2=C3H5O5r_12 1.040E+15 -0.920 -119.503 CH3O2r_3+O2=CH3O4r 1.040E+15 -0.920 -119.503 HOCH2OCO+O2=C2H3O5r_7 1.200E+11 0.000 -1099.426 C2HO3r_1+O2=C2HO5r_1 1.200E+11 0.000 -1099.426 C2HO4r_2+O2=C2HO6r 1.200E+11 0.000 -1099.426 C3H3O4r_1+O2=C3H3O6r_6 1.200E+11 0.000 -1099.426 C3H3O4r_3+O2=C3H3O6r_9 1.200E+11 0.000 -1099.426 C3H3O4r_5+O2=C3H3O6r_11 1.200E+11 0.000 -1099.426 C3H5O3r_7+O2=C3H5O5r_18 1.200E+11 0.000 -1099.426 CHO2r_1+O2=CHO4r 1.200E+11 0.000 -1099.426 !! Reaction Family: R+RO2->RO+RO Cai et al C2H3O2r+C2H3O4r=C2H3O3r+C2H3O3r 7.000E+12 0.000 -1003.824 C2H3O2r+C2H3O4r_1=C2H3O3r+OCH2OCHO 7.000E+12 0.000 -1003.824 C2H3O2r+C2H3O5r=C2H3O3r+C2H3O4r_5 7.000E+12 0.000 -1003.824 C2H3O2r+C2H3O5r_1=C2H3O3r+C2H3O4r_6 7.000E+12 0.000 -1003.824 C2H3O2r+C2H3O5r_2=C2H3O3r+C2H3O4r_6 7.000E+12 0.000 -1003.824 C2H3O2r+C2H3O5r_3=C2H3O3r+C2H3O4r_8 7.000E+12 0.000 -1003.824 C2H3O2r+C2H3O5r_4=C2H3O3r+C2H3O4r_9 7.000E+12 0.000 -1003.824 C2H3O2r+CH3OCH2O2=C2H3O3r+CH3OCH2O 7.000E+12 0.000 -1003.824 C2H3O2r+C2H5O4r=C2H3O3r+C2H5O3r_3 7.000E+12 0.000 -1003.824 C2H3O2r+C2H5O4r_1=C2H3O3r+C2H5O3r_2 7.000E+12 0.000 -1003.824 C2H3O2r+C2H5O4r_4=C2H3O3r+C2H5O3r_4 7.000E+12 0.000 -1003.824 C2H3O2r+C2HO5r=C2H3O3r+C2HO4r 7.000E+12 0.000 -1003.824 C2H3O2r+C3H3O6r=C2H3O3r+C3H3O5r_3 7.000E+12 0.000 -1003.824 C2H3O2r+C3H3O6r_12=C2H3O3r+C3H3O5r_5 7.000E+12 0.000 -1003.824 C2H3O2r+C3H3O6r_13=C2H3O3r+C3H3O5r_5 7.000E+12 0.000 -1003.824 C2H3O2r+C3H3O6r_16=C2H3O3r+C3H3O5r_6 7.000E+12 0.000 -1003.824 C2H3O2r+C3H3O6r_19=C2H3O3r+C3H3O5r_7 7.000E+12 0.000 -1003.824 C2H3O2r+C3H3O6r_1=C2H3O3r+C3H3O5r 7.000E+12 0.000 -1003.824 C2H3O2r+C3H3O6r_4=C2H3O3r+C3H3O5r_1 7.000E+12 0.000 -1003.824 C2H3O2r+C3H5O5r=C2H3O3r+C3H5O4r 7.000E+12 0.000 -1003.824 C2H3O2r+C3H5O5r_12=C2H3O3r+C3H5O4r_6 7.000E+12 0.000 -1003.824 C2H3O2r+C3H5O5r_15=C2H3O3r+C3H5O4r_7 7.000E+12 0.000 -1003.824 C2H3O2r+C3H5O5r_2=C2H3O3r+C3H5O4r_1 7.000E+12 0.000 -1003.824 C2H3O2r+C3H5O5r_3=C2H3O3r+C3H5O4r_2 7.000E+12 0.000 -1003.824 C2H3O2r+C3H5O5r_6=C2H3O3r+C3H5O4r_4 7.000E+12 0.000 -1003.824 C2H3O2r+C3H5O5r_7=C2H3O3r+C3H5O4r_5 7.000E+12 0.000 -1003.824 C2H3O2r+C3H7O4r=C2H3O3r+C3H7O3r 7.000E+12 0.000 -1003.824 C2H3O2r+C3H7O4r_3=C2H3O3r+C3H7O3r_1 7.000E+12 0.000 -1003.824 C2H3O2r+CH3O2=C2H3O3r+CH3O 7.000E+12 0.000 -1003.824 C2H3O2r+HOCH2O2=C2H3O3r+HOCH2O 7.000E+12 0.000 -1003.824 C2H3O2r+CH3O4r=C2H3O3r+CH3O3r_2 7.000E+12 0.000 -1003.824 CH2OCHO+C2H3O4r=OCH2OCHO+C2H3O3r 7.000E+12 0.000 -1003.824 CH2OCHO+C2H3O4r_1=OCH2OCHO+OCH2OCHO 7.000E+12 0.000 -1003.824 CH2OCHO+C2H3O5r=OCH2OCHO+C2H3O4r_5 7.000E+12 0.000 -1003.824 CH2OCHO+C2H3O5r_1=OCH2OCHO+C2H3O4r_7 7.000E+12 0.000 -1003.824 CH2OCHO+C2H3O5r_2=OCH2OCHO+C2H3O4r_6 7.000E+12 0.000 -1003.824 CH2OCHO+C2H3O5r_3=OCH2OCHO+C2H3O4r_8 7.000E+12 0.000 -1003.824 CH2OCHO+C2H3O5r_4=OCH2OCHO+C2H3O4r_9 7.000E+12 0.000 -1003.824 CH2OCHO+CH3OCH2O2=OCH2OCHO+CH3OCH2O 7.000E+12 0.000 -1003.824 CH2OCHO+C2H5O4r=OCH2OCHO+C2H5O3r_3 7.000E+12 0.000 -1003.824 CH2OCHO+C2H5O4r_1=OCH2OCHO+C2H5O3r_2 7.000E+12 0.000 -1003.824 CH2OCHO+C2H5O4r_4=OCH2OCHO+C2H5O3r_4 7.000E+12 0.000 -1003.824 CH2OCHO+C2HO5r=OCH2OCHO+C2HO4r 7.000E+12 0.000 -1003.824 CH2OCHO+C3H3O6r=OCH2OCHO+C3H3O5r_3 7.000E+12 0.000 -1003.824 CH2OCHO+C3H3O6r_12=OCH2OCHO+C3H3O5r_4 7.000E+12 0.000 -1003.824 CH2OCHO+C3H3O6r_13=OCH2OCHO+C3H3O5r_4 7.000E+12 0.000 -1003.824 CH2OCHO+C3H3O6r_16=OCH2OCHO+C3H3O5r_6 7.000E+12 0.000 -1003.824 CH2OCHO+C3H3O6r_19=OCH2OCHO+C3H3O5r_7 7.000E+12 0.000 -1003.824 CH2OCHO+C3H3O6r_1=OCH2OCHO+C3H3O5r 7.000E+12 0.000 -1003.824 CH2OCHO+C3H3O6r_4=OCH2OCHO+C3H3O5r_1 7.000E+12 0.000 -1003.824 CH2OCHO+C3H5O5r=OCH2OCHO+C3H5O4r 7.000E+12 0.000 -1003.824 CH2OCHO+C3H5O5r_12=OCH2OCHO+C3H5O4r_6 7.000E+12 0.000 -1003.824 CH2OCHO+C3H5O5r_15=OCH2OCHO+C3H5O4r_7 7.000E+12 0.000 -1003.824 CH2OCHO+C3H5O5r_2=OCH2OCHO+C3H5O4r_1 7.000E+12 0.000 -1003.824 CH2OCHO+C3H5O5r_3=OCH2OCHO+C3H5O4r_2 7.000E+12 0.000 -1003.824 CH2OCHO+C3H5O5r_6=OCH2OCHO+C3H5O4r_4 7.000E+12 0.000 -1003.824 CH2OCHO+C3H5O5r_7=OCH2OCHO+C3H5O4r_5 7.000E+12 0.000 -1003.824 CH2OCHO+C3H7O4r=OCH2OCHO+C3H7O3r 7.000E+12 0.000 -1003.824 CH2OCHO+C3H7O4r_3=OCH2OCHO+C3H7O3r_1 7.000E+12 0.000 -1003.824 CH2OCHO+CH3O2=OCH2OCHO+CH3O 7.000E+12 0.000 -1003.824 CH2OCHO+HOCH2O2=OCH2OCHO+HOCH2O 7.000E+12 0.000 -1003.824 CH2OCHO+CH3O4r=OCH2OCHO+CH3O3r_2 7.000E+12 0.000 -1003.824 CH3OCO+C2H3O4r=C2H3O3r_2+C2H3O3r 7.000E+12 0.000 -1003.824 CH3OCO+C2H3O4r_1=C2H3O3r_2+OCH2OCHO 7.000E+12 0.000 -1003.824 CH3OCO+C2H3O5r=C2H3O3r_2+C2H3O4r_5 7.000E+12 0.000 -1003.824 CH3OCO+C2H3O5r_1=C2H3O3r_2+C2H3O4r_7 7.000E+12 0.000 -1003.824 CH3OCO+C2H3O5r_2=C2H3O3r_2+C2H3O4r_6 7.000E+12 0.000 -1003.824 CH3OCO+C2H3O5r_3=C2H3O3r_2+C2H3O4r_8 7.000E+12 0.000 -1003.824 CH3OCO+C2H3O5r_4=C2H3O3r_2+C2H3O4r_9 7.000E+12 0.000 -1003.824 CH3OCO+CH3OCH2O2=C2H3O3r_2+CH3OCH2O 7.000E+12 0.000 -1003.824 CH3OCO+C2H5O4r=C2H3O3r_2+C2H5O3r_3 7.000E+12 0.000 -1003.824 CH3OCO+C2H5O4r_1=C2H3O3r_2+C2H5O3r_2 7.000E+12 0.000 -1003.824 CH3OCO+C2H5O4r_4=C2H3O3r_2+C2H5O3r_4 7.000E+12 0.000 -1003.824 CH3OCO+C2HO5r=C2H3O3r_2+C2HO4r 7.000E+12 0.000 -1003.824 CH3OCO+C3H3O6r=C2H3O3r_2+C3H3O5r_3 7.000E+12 0.000 -1003.824 CH3OCO+C3H3O6r_12=C2H3O3r_2+C3H3O5r_4 7.000E+12 0.000 -1003.824 CH3OCO+C3H3O6r_13=C2H3O3r_2+C3H3O5r_5 7.000E+12 0.000 -1003.824 CH3OCO+C3H3O6r_16=C2H3O3r_2+C3H3O5r_6 7.000E+12 0.000 -1003.824 CH3OCO+C3H3O6r_19=C2H3O3r_2+C3H3O5r_7 7.000E+12 0.000 -1003.824 CH3OCO+C3H3O6r_1=C2H3O3r_2+C3H3O5r 7.000E+12 0.000 -1003.824 CH3OCO+C3H3O6r_4=C2H3O3r_2+C3H3O5r_1 7.000E+12 0.000 -1003.824 CH3OCO+C3H5O5r=C2H3O3r_2+C3H5O4r 7.000E+12 0.000 -1003.824 CH3OCO+C3H5O5r_12=C2H3O3r_2+C3H5O4r_6 7.000E+12 0.000 -1003.824 CH3OCO+C3H5O5r_15=C2H3O3r_2+C3H5O4r_7 7.000E+12 0.000 -1003.824 CH3OCO+C3H5O5r_2=C2H3O3r_2+C3H5O4r_1 7.000E+12 0.000 -1003.824 CH3OCO+C3H5O5r_3=C2H3O3r_2+C3H5O4r_3 7.000E+12 0.000 -1003.824 CH3OCO+C3H5O5r_6=C2H3O3r_2+C3H5O4r_4 7.000E+12 0.000 -1003.824 CH3OCO+C3H5O5r_7=C2H3O3r_2+C3H5O4r_5 7.000E+12 0.000 -1003.824 CH3OCO+C3H7O4r=C2H3O3r_2+C3H7O3r 7.000E+12 0.000 -1003.824 CH3OCO+C3H7O4r_3=C2H3O3r_2+C3H7O3r_1 7.000E+12 0.000 -1003.824 CH3OCO+CH3O2=C2H3O3r_2+CH3O 7.000E+12 0.000 -1003.824 CH3OCO+HOCH2O2=C2H3O3r_2+HOCH2O 7.000E+12 0.000 -1003.824 CH3OCO+CH3O4r=C2H3O3r_2+CH3O3r_2 7.000E+12 0.000 -1003.824 C2H5O2r_1+C2H3O4r=C2H5O3r_4+C2H3O3r 7.000E+12 0.000 -1003.824 C2H5O2r_1+C2H3O4r_1=C2H5O3r_4+OCH2OCHO 7.000E+12 0.000 -1003.824 C2H5O2r_1+C2H3O5r=C2H5O3r_4+C2H3O4r_5 7.000E+12 0.000 -1003.824 C2H5O2r_1+C2H3O5r_1=C2H5O3r_4+C2H3O4r_7 7.000E+12 0.000 -1003.824 C2H5O2r_1+C2H3O5r_2=C2H5O3r_4+C2H3O4r_6 7.000E+12 0.000 -1003.824 C2H5O2r_1+C2H3O5r_3=C2H5O3r_4+C2H3O4r_8 7.000E+12 0.000 -1003.824 C2H5O2r_1+C2H3O5r_4=C2H5O3r_4+C2H3O4r_9 7.000E+12 0.000 -1003.824 C2H5O2r_1+CH3OCH2O2=C2H5O3r_4+CH3OCH2O 7.000E+12 0.000 -1003.824 C2H5O2r_1+C2H5O4r=C2H5O3r_4+C2H5O3r_3 7.000E+12 0.000 -1003.824 C2H5O2r_1+C2H5O4r_1=C2H5O3r_4+C2H5O3r_2 7.000E+12 0.000 -1003.824 C2H5O2r_1+C2H5O4r_4=C2H5O3r_4+C2H5O3r_4 7.000E+12 0.000 -1003.824 C2H5O2r_1+C2HO5r=C2H5O3r_4+C2HO4r 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H3O6r=C2H5O3r_4+C3H3O5r_3 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H3O6r_12=C2H5O3r_4+C3H3O5r_5 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H3O6r_13=C2H5O3r_4+C3H3O5r_5 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H3O6r_16=C2H5O3r_4+C3H3O5r_6 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H3O6r_19=C2H5O3r_4+C3H3O5r_7 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H3O6r_1=C2H5O3r_4+C3H3O5r 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H3O6r_4=C2H5O3r_4+C3H3O5r_1 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H5O5r=C2H5O3r_4+C3H5O4r 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H5O5r_12=C2H5O3r_4+C3H5O4r_6 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H5O5r_15=C2H5O3r_4+C3H5O4r_7 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H5O5r_2=C2H5O3r_4+C3H5O4r_1 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H5O5r_3=C2H5O3r_4+C3H5O4r_3 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H5O5r_6=C2H5O3r_4+C3H5O4r_4 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H5O5r_7=C2H5O3r_4+C3H5O4r_5 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H7O4r=C2H5O3r_4+C3H7O3r 7.000E+12 0.000 -1003.824 C2H5O2r_1+C3H7O4r_3=C2H5O3r_4+C3H7O3r_1 7.000E+12 0.000 -1003.824 C2H5O2r_1+CH3O2=C2H5O3r_4+CH3O 7.000E+12 0.000 -1003.824 C2H5O2r_1+HOCH2O2=C2H5O3r_4+HOCH2O 7.000E+12 0.000 -1003.824 C2H5O2r_1+CH3O4r=C2H5O3r_4+CH3O3r_2 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H3O4r=C2H5O3r_2+C2H3O3r 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H3O4r=C2H5O3r_3+C2H3O3r 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H3O4r_1=C2H5O3r_2+OCH2OCHO 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H3O4r_1=C2H5O3r_3+OCH2OCHO 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H3O5r=C2H5O3r_2+C2H3O4r_5 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H3O5r=C2H5O3r_3+C2H3O4r_5 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H3O5r_1=C2H5O3r_2+C2H3O4r_7 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H3O5r_1=C2H5O3r_3+C2H3O4r_7 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H3O5r_2=C2H5O3r_2+C2H3O4r_7 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H3O5r_2=C2H5O3r_3+C2H3O4r_7 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H3O5r_3=C2H5O3r_2+C2H3O4r_8 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H3O5r_3=C2H5O3r_3+C2H3O4r_8 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H3O5r_4=C2H5O3r_2+C2H3O4r_9 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H3O5r_4=C2H5O3r_3+C2H3O4r_9 7.000E+12 0.000 -1003.824 C2H5O2r_2+CH3OCH2O2=C2H5O3r_2+CH3OCH2O 7.000E+12 0.000 -1003.824 C2H5O2r_2+CH3OCH2O2=C2H5O3r_3+CH3OCH2O 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H5O4r=C2H5O3r_2+C2H5O3r_3 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H5O4r=C2H5O3r_3+C2H5O3r_3 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H5O4r_1=C2H5O3r_2+C2H5O3r_2 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H5O4r_1=C2H5O3r_3+C2H5O3r_2 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H5O4r_4=C2H5O3r_2+C2H5O3r_4 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2H5O4r_4=C2H5O3r_3+C2H5O3r_4 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2HO5r=C2H5O3r_2+C2HO4r 7.000E+12 0.000 -1003.824 C2H5O2r_2+C2HO5r=C2H5O3r_3+C2HO4r 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H3O6r=C2H5O3r_2+C3H3O5r_3 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H3O6r=C2H5O3r_3+C3H3O5r_3 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H3O6r_12=C2H5O3r_2+C3H3O5r_5 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H3O6r_12=C2H5O3r_3+C3H3O5r_5 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H3O6r_13=C2H5O3r_2+C3H3O5r_5 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H3O6r_13=C2H5O3r_3+C3H3O5r_5 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H3O6r_16=C2H5O3r_2+C3H3O5r_6 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H3O6r_16=C2H5O3r_3+C3H3O5r_6 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H3O6r_19=C2H5O3r_2+C3H3O5r_7 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H3O6r_19=C2H5O3r_3+C3H3O5r_7 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H3O6r_1=C2H5O3r_2+C3H3O5r 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H3O6r_1=C2H5O3r_3+C3H3O5r 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H3O6r_4=C2H5O3r_2+C3H3O5r_1 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H3O6r_4=C2H5O3r_3+C3H3O5r_1 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H5O5r=C2H5O3r_2+C3H5O4r 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H5O5r=C2H5O3r_3+C3H5O4r 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H5O5r_12=C2H5O3r_2+C3H5O4r_6 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H5O5r_12=C2H5O3r_3+C3H5O4r_6 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H5O5r_15=C2H5O3r_2+C3H5O4r_7 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H5O5r_15=C2H5O3r_3+C3H5O4r_7 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H5O5r_2=C2H5O3r_2+C3H5O4r_1 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H5O5r_2=C2H5O3r_3+C3H5O4r_1 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H5O5r_3=C2H5O3r_2+C3H5O4r_3 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H5O5r_3=C2H5O3r_3+C3H5O4r_3 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H5O5r_6=C2H5O3r_2+C3H5O4r_4 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H5O5r_6=C2H5O3r_3+C3H5O4r_4 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H5O5r_7=C2H5O3r_2+C3H5O4r_5 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H5O5r_7=C2H5O3r_3+C3H5O4r_5 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H7O4r=C2H5O3r_2+C3H7O3r 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H7O4r=C2H5O3r_3+C3H7O3r 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H7O4r_3=C2H5O3r_2+C3H7O3r_1 7.000E+12 0.000 -1003.824 C2H5O2r_2+C3H7O4r_3=C2H5O3r_3+C3H7O3r_1 7.000E+12 0.000 -1003.824 C2H5O2r_2+CH3O2=C2H5O3r_2+CH3O 7.000E+12 0.000 -1003.824 C2H5O2r_2+CH3O2=C2H5O3r_3+CH3O 7.000E+12 0.000 -1003.824 C2H5O2r_2+HOCH2O2=C2H5O3r_2+HOCH2O 7.000E+12 0.000 -1003.824 C2H5O2r_2+HOCH2O2=C2H5O3r_3+HOCH2O 7.000E+12 0.000 -1003.824 C2H5O2r_2+CH3O4r=C2H5O3r_2+CH3O3r_2 7.000E+12 0.000 -1003.824 C2H5O2r_2+CH3O4r=C2H5O3r_3+CH3O3r_2 7.000E+12 0.000 -1003.824 CH3OCH2+C2H3O4r=CH3OCH2O+C2H3O3r 7.000E+12 0.000 -1003.824 CH3OCH2+C2H3O4r_1=CH3OCH2O+OCH2OCHO 7.000E+12 0.000 -1003.824 CH3OCH2+C2H3O5r=CH3OCH2O+C2H3O4r_5 7.000E+12 0.000 -1003.824 CH3OCH2+C2H3O5r_1=CH3OCH2O+C2H3O4r_6 7.000E+12 0.000 -1003.824 CH3OCH2+C2H3O5r_2=CH3OCH2O+C2H3O4r_7 7.000E+12 0.000 -1003.824 CH3OCH2+C2H3O5r_3=CH3OCH2O+C2H3O4r_8 7.000E+12 0.000 -1003.824 CH3OCH2+C2H3O5r_4=CH3OCH2O+C2H3O4r_9 7.000E+12 0.000 -1003.824 CH3OCH2+CH3OCH2O2=CH3OCH2O+CH3OCH2O 7.000E+12 0.000 -1003.824 CH3OCH2+C2H5O4r=CH3OCH2O+C2H5O3r_3 7.000E+12 0.000 -1003.824 CH3OCH2+C2H5O4r_1=CH3OCH2O+C2H5O3r_2 7.000E+12 0.000 -1003.824 CH3OCH2+C2H5O4r_4=CH3OCH2O+C2H5O3r_4 7.000E+12 0.000 -1003.824 CH3OCH2+C2HO5r=CH3OCH2O+C2HO4r 7.000E+12 0.000 -1003.824 CH3OCH2+C3H3O6r=CH3OCH2O+C3H3O5r_3 7.000E+12 0.000 -1003.824 CH3OCH2+C3H3O6r_12=CH3OCH2O+C3H3O5r_5 7.000E+12 0.000 -1003.824 CH3OCH2+C3H3O6r_13=CH3OCH2O+C3H3O5r_4 7.000E+12 0.000 -1003.824 CH3OCH2+C3H3O6r_16=CH3OCH2O+C3H3O5r_6 7.000E+12 0.000 -1003.824 CH3OCH2+C3H3O6r_19=CH3OCH2O+C3H3O5r_7 7.000E+12 0.000 -1003.824 CH3OCH2+C3H3O6r_1=CH3OCH2O+C3H3O5r 7.000E+12 0.000 -1003.824 CH3OCH2+C3H3O6r_4=CH3OCH2O+C3H3O5r_1 7.000E+12 0.000 -1003.824 CH3OCH2+C3H5O5r=CH3OCH2O+C3H5O4r 7.000E+12 0.000 -1003.824 CH3OCH2+C3H5O5r_12=CH3OCH2O+C3H5O4r_6 7.000E+12 0.000 -1003.824 CH3OCH2+C3H5O5r_15=CH3OCH2O+C3H5O4r_7 7.000E+12 0.000 -1003.824 CH3OCH2+C3H5O5r_2=CH3OCH2O+C3H5O4r_1 7.000E+12 0.000 -1003.824 CH3OCH2+C3H5O5r_3=CH3OCH2O+C3H5O4r_3 7.000E+12 0.000 -1003.824 CH3OCH2+C3H5O5r_6=CH3OCH2O+C3H5O4r_4 7.000E+12 0.000 -1003.824 CH3OCH2+C3H5O5r_7=CH3OCH2O+C3H5O4r_5 7.000E+12 0.000 -1003.824 CH3OCH2+C3H7O4r=CH3OCH2O+C3H7O3r 7.000E+12 0.000 -1003.824 CH3OCH2+C3H7O4r_3=CH3OCH2O+C3H7O3r_1 7.000E+12 0.000 -1003.824 CH3OCH2+CH3O2=CH3OCH2O+CH3O 7.000E+12 0.000 -1003.824 CH3OCH2+HOCH2O2=CH3OCH2O+HOCH2O 7.000E+12 0.000 -1003.824 CH3OCH2+CH3O4r=CH3OCH2O+CH3O3r_2 7.000E+12 0.000 -1003.824 C3H7O2r+C2H3O4r=C3H7O3r_1+C2H3O3r 7.000E+12 0.000 -1003.824 C3H7O2r+C2H3O4r_1=C3H7O3r_1+OCH2OCHO 7.000E+12 0.000 -1003.824 C3H7O2r+C2H3O5r=C3H7O3r_1+C2H3O4r_5 7.000E+12 0.000 -1003.824 C3H7O2r+C2H3O5r_1=C3H7O3r_1+C2H3O4r_7 7.000E+12 0.000 -1003.824 C3H7O2r+C2H3O5r_2=C3H7O3r_1+C2H3O4r_6 7.000E+12 0.000 -1003.824 C3H7O2r+C2H3O5r_3=C3H7O3r_1+C2H3O4r_8 7.000E+12 0.000 -1003.824 C3H7O2r+C2H3O5r_4=C3H7O3r_1+C2H3O4r_9 7.000E+12 0.000 -1003.824 C3H7O2r+CH3OCH2O2=C3H7O3r_1+CH3OCH2O 7.000E+12 0.000 -1003.824 C3H7O2r+C2H5O4r=C3H7O3r_1+C2H5O3r_3 7.000E+12 0.000 -1003.824 C3H7O2r+C2H5O4r_1=C3H7O3r_1+C2H5O3r_2 7.000E+12 0.000 -1003.824 C3H7O2r+C2H5O4r_4=C3H7O3r_1+C2H5O3r_4 7.000E+12 0.000 -1003.824 C3H7O2r+C2HO5r=C3H7O3r_1+C2HO4r 7.000E+12 0.000 -1003.824 C3H7O2r+C3H3O6r=C3H7O3r_1+C3H3O5r_3 7.000E+12 0.000 -1003.824 C3H7O2r+C3H3O6r_12=C3H7O3r_1+C3H3O5r_4 7.000E+12 0.000 -1003.824 C3H7O2r+C3H3O6r_13=C3H7O3r_1+C3H3O5r_5 7.000E+12 0.000 -1003.824 C3H7O2r+C3H3O6r_16=C3H7O3r_1+C3H3O5r_6 7.000E+12 0.000 -1003.824 C3H7O2r+C3H3O6r_19=C3H7O3r_1+C3H3O5r_7 7.000E+12 0.000 -1003.824 C3H7O2r+C3H3O6r_1=C3H7O3r_1+C3H3O5r 7.000E+12 0.000 -1003.824 C3H7O2r+C3H3O6r_4=C3H7O3r_1+C3H3O5r_1 7.000E+12 0.000 -1003.824 C3H7O2r+C3H5O5r=C3H7O3r_1+C3H5O4r 7.000E+12 0.000 -1003.824 C3H7O2r+C3H5O5r_12=C3H7O3r_1+C3H5O4r_6 7.000E+12 0.000 -1003.824 C3H7O2r+C3H5O5r_15=C3H7O3r_1+C3H5O4r_7 7.000E+12 0.000 -1003.824 C3H7O2r+C3H5O5r_2=C3H7O3r_1+C3H5O4r_1 7.000E+12 0.000 -1003.824 C3H7O2r+C3H5O5r_3=C3H7O3r_1+C3H5O4r_2 7.000E+12 0.000 -1003.824 C3H7O2r+C3H5O5r_6=C3H7O3r_1+C3H5O4r_4 7.000E+12 0.000 -1003.824 C3H7O2r+C3H5O5r_7=C3H7O3r_1+C3H5O4r_5 7.000E+12 0.000 -1003.824 C3H7O2r+C3H7O4r=C3H7O3r_1+C3H7O3r 7.000E+12 0.000 -1003.824 C3H7O2r+C3H7O4r_3=C3H7O3r_1+C3H7O3r_1 7.000E+12 0.000 -1003.824 C3H7O2r+CH3O2=C3H7O3r_1+CH3O 7.000E+12 0.000 -1003.824 C3H7O2r+HOCH2O2=C3H7O3r_1+HOCH2O 7.000E+12 0.000 -1003.824 C3H7O2r+CH3O4r=C3H7O3r_1+CH3O3r_2 7.000E+12 0.000 -1003.824 C3H7O2r_1+C2H3O4r=C3H7O3r+C2H3O3r 7.000E+12 0.000 -1003.824 C3H7O2r_1+C2H3O4r_1=C3H7O3r+OCH2OCHO 7.000E+12 0.000 -1003.824 C3H7O2r_1+C2H3O5r=C3H7O3r+C2H3O4r_5 7.000E+12 0.000 -1003.824 C3H7O2r_1+C2H3O5r_1=C3H7O3r+C2H3O4r_6 7.000E+12 0.000 -1003.824 C3H7O2r_1+C2H3O5r_2=C3H7O3r+C2H3O4r_6 7.000E+12 0.000 -1003.824 C3H7O2r_1+C2H3O5r_3=C3H7O3r+C2H3O4r_8 7.000E+12 0.000 -1003.824 C3H7O2r_1+C2H3O5r_4=C3H7O3r+C2H3O4r_9 7.000E+12 0.000 -1003.824 C3H7O2r_1+CH3OCH2O2=C3H7O3r+CH3OCH2O 7.000E+12 0.000 -1003.824 C3H7O2r_1+C2H5O4r=C3H7O3r+C2H5O3r_3 7.000E+12 0.000 -1003.824 C3H7O2r_1+C2H5O4r_1=C3H7O3r+C2H5O3r_2 7.000E+12 0.000 -1003.824 C3H7O2r_1+C2H5O4r_4=C3H7O3r+C2H5O3r_4 7.000E+12 0.000 -1003.824 C3H7O2r_1+C2HO5r=C3H7O3r+C2HO4r 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H3O6r=C3H7O3r+C3H3O5r_3 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H3O6r_12=C3H7O3r+C3H3O5r_4 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H3O6r_13=C3H7O3r+C3H3O5r_5 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H3O6r_16=C3H7O3r+C3H3O5r_6 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H3O6r_19=C3H7O3r+C3H3O5r_7 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H3O6r_1=C3H7O3r+C3H3O5r 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H3O6r_4=C3H7O3r+C3H3O5r_1 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H5O5r=C3H7O3r+C3H5O4r 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H5O5r_12=C3H7O3r+C3H5O4r_6 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H5O5r_15=C3H7O3r+C3H5O4r_7 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H5O5r_2=C3H7O3r+C3H5O4r_1 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H5O5r_3=C3H7O3r+C3H5O4r_2 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H5O5r_6=C3H7O3r+C3H5O4r_4 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H5O5r_7=C3H7O3r+C3H5O4r_5 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H7O4r=C3H7O3r+C3H7O3r 7.000E+12 0.000 -1003.824 C3H7O2r_1+C3H7O4r_3=C3H7O3r+C3H7O3r_1 7.000E+12 0.000 -1003.824 C3H7O2r_1+CH3O2=C3H7O3r+CH3O 7.000E+12 0.000 -1003.824 C3H7O2r_1+HOCH2O2=C3H7O3r+HOCH2O 7.000E+12 0.000 -1003.824 C3H7O2r_1+CH3O4r=C3H7O3r+CH3O3r_2 7.000E+12 0.000 -1003.824 CH3O2r_3+C2H3O4r=CH3O3r_2+C2H3O3r 7.000E+12 0.000 -1003.824 CH3O2r_3+C2H3O4r_1=CH3O3r_2+OCH2OCHO 7.000E+12 0.000 -1003.824 CH3O2r_3+C2H3O5r=CH3O3r_2+C2H3O4r_5 7.000E+12 0.000 -1003.824 CH3O2r_3+C2H3O5r_1=CH3O3r_2+C2H3O4r_7 7.000E+12 0.000 -1003.824 CH3O2r_3+C2H3O5r_2=CH3O3r_2+C2H3O4r_7 7.000E+12 0.000 -1003.824 CH3O2r_3+C2H3O5r_3=CH3O3r_2+C2H3O4r_8 7.000E+12 0.000 -1003.824 CH3O2r_3+C2H3O5r_4=CH3O3r_2+C2H3O4r_9 7.000E+12 0.000 -1003.824 CH3O2r_3+CH3OCH2O2=CH3O3r_2+CH3OCH2O 7.000E+12 0.000 -1003.824 CH3O2r_3+C2H5O4r=CH3O3r_2+C2H5O3r_3 7.000E+12 0.000 -1003.824 CH3O2r_3+C2H5O4r_1=CH3O3r_2+C2H5O3r_2 7.000E+12 0.000 -1003.824 CH3O2r_3+C2H5O4r_4=CH3O3r_2+C2H5O3r_4 7.000E+12 0.000 -1003.824 CH3O2r_3+C2HO5r=CH3O3r_2+C2HO4r 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H3O6r=CH3O3r_2+C3H3O5r_3 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H3O6r_12=CH3O3r_2+C3H3O5r_4 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H3O6r_13=CH3O3r_2+C3H3O5r_5 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H3O6r_16=CH3O3r_2+C3H3O5r_6 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H3O6r_19=CH3O3r_2+C3H3O5r_7 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H3O6r_1=CH3O3r_2+C3H3O5r 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H3O6r_4=CH3O3r_2+C3H3O5r_1 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H5O5r=CH3O3r_2+C3H5O4r 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H5O5r_12=CH3O3r_2+C3H5O4r_6 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H5O5r_15=CH3O3r_2+C3H5O4r_7 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H5O5r_2=CH3O3r_2+C3H5O4r_1 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H5O5r_3=CH3O3r_2+C3H5O4r_2 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H5O5r_6=CH3O3r_2+C3H5O4r_4 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H5O5r_7=CH3O3r_2+C3H5O4r_5 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H7O4r=CH3O3r_2+C3H7O3r 7.000E+12 0.000 -1003.824 CH3O2r_3+C3H7O4r_3=CH3O3r_2+C3H7O3r_1 7.000E+12 0.000 -1003.824 CH3O2r_3+CH3O2=CH3O3r_2+CH3O 7.000E+12 0.000 -1003.824 CH3O2r_3+HOCH2O2=CH3O3r_2+HOCH2O 7.000E+12 0.000 -1003.824 CH3O2r_3+CH3O4r=CH3O3r_2+CH3O3r_2 7.000E+12 0.000 -1003.824 CH2OH+C2H3O4r=HOCH2O+C2H3O3r 7.000E+12 0.000 -1003.824 CH2OH+C2H3O4r_1=HOCH2O+OCH2OCHO 7.000E+12 0.000 -1003.824 CH2OH+C2H3O5r=HOCH2O+C2H3O4r_5 7.000E+12 0.000 -1003.824 CH2OH+C2H3O5r_1=HOCH2O+C2H3O4r_6 7.000E+12 0.000 -1003.824 CH2OH+C2H3O5r_2=HOCH2O+C2H3O4r_7 7.000E+12 0.000 -1003.824 CH2OH+C2H3O5r_3=HOCH2O+C2H3O4r_8 7.000E+12 0.000 -1003.824 CH2OH+C2H3O5r_4=HOCH2O+C2H3O4r_9 7.000E+12 0.000 -1003.824 CH2OH+CH3OCH2O2=HOCH2O+CH3OCH2O 7.000E+12 0.000 -1003.824 CH2OH+C2H5O4r=HOCH2O+C2H5O3r_3 7.000E+12 0.000 -1003.824 CH2OH+C2H5O4r_1=HOCH2O+C2H5O3r_2 7.000E+12 0.000 -1003.824 CH2OH+C2H5O4r_4=HOCH2O+C2H5O3r_4 7.000E+12 0.000 -1003.824 CH2OH+C2HO5r=HOCH2O+C2HO4r 7.000E+12 0.000 -1003.824 CH2OH+C3H3O6r=HOCH2O+C3H3O5r_3 7.000E+12 0.000 -1003.824 CH2OH+C3H3O6r_12=HOCH2O+C3H3O5r_5 7.000E+12 0.000 -1003.824 CH2OH+C3H3O6r_13=HOCH2O+C3H3O5r_4 7.000E+12 0.000 -1003.824 CH2OH+C3H3O6r_16=HOCH2O+C3H3O5r_6 7.000E+12 0.000 -1003.824 CH2OH+C3H3O6r_19=HOCH2O+C3H3O5r_7 7.000E+12 0.000 -1003.824 CH2OH+C3H3O6r_1=HOCH2O+C3H3O5r 7.000E+12 0.000 -1003.824 CH2OH+C3H3O6r_4=HOCH2O+C3H3O5r_1 7.000E+12 0.000 -1003.824 CH2OH+C3H5O5r=HOCH2O+C3H5O4r 7.000E+12 0.000 -1003.824 CH2OH+C3H5O5r_12=HOCH2O+C3H5O4r_6 7.000E+12 0.000 -1003.824 CH2OH+C3H5O5r_15=HOCH2O+C3H5O4r_7 7.000E+12 0.000 -1003.824 CH2OH+C3H5O5r_2=HOCH2O+C3H5O4r_1 7.000E+12 0.000 -1003.824 CH2OH+C3H5O5r_3=HOCH2O+C3H5O4r_2 7.000E+12 0.000 -1003.824 CH2OH+C3H5O5r_6=HOCH2O+C3H5O4r_4 7.000E+12 0.000 -1003.824 CH2OH+C3H5O5r_7=HOCH2O+C3H5O4r_5 7.000E+12 0.000 -1003.824 CH2OH+C3H7O4r=HOCH2O+C3H7O3r 7.000E+12 0.000 -1003.824 CH2OH+C3H7O4r_3=HOCH2O+C3H7O3r_1 7.000E+12 0.000 -1003.824 CH2OH+CH3O2=HOCH2O+CH3O 7.000E+12 0.000 -1003.824 CH2OH+HOCH2O2=HOCH2O+HOCH2O 7.000E+12 0.000 -1003.824 CH2OH+CH3O4r=HOCH2O+CH3O3r_2 7.000E+12 0.000 -1003.824 CH3+C2H3O4r=CH3O+C2H3O3r 7.000E+12 0.000 -1003.824 CH3+C2H3O4r_1=CH3O+OCH2OCHO 7.000E+12 0.000 -1003.824 CH3+C2H3O5r=CH3O+C2H3O4r_5 7.000E+12 0.000 -1003.824 CH3+C2H3O5r_1=CH3O+C2H3O4r_6 7.000E+12 0.000 -1003.824 CH3+C2H3O5r_2=CH3O+C2H3O4r_7 7.000E+12 0.000 -1003.824 CH3+C2H3O5r_3=CH3O+C2H3O4r_8 7.000E+12 0.000 -1003.824 CH3+C2H3O5r_4=CH3O+C2H3O4r_9 7.000E+12 0.000 -1003.824 CH3+CH3OCH2O2=CH3O+CH3OCH2O 7.000E+12 0.000 -1003.824 CH3+C2H5O4r=CH3O+C2H5O3r_3 7.000E+12 0.000 -1003.824 CH3+C2H5O4r_1=CH3O+C2H5O3r_2 7.000E+12 0.000 -1003.824 CH3+C2H5O4r_4=CH3O+C2H5O3r_4 7.000E+12 0.000 -1003.824 CH3+C2HO5r=CH3O+C2HO4r 7.000E+12 0.000 -1003.824 CH3+C3H3O6r=CH3O+C3H3O5r_3 7.000E+12 0.000 -1003.824 CH3+C3H3O6r_12=CH3O+C3H3O5r_4 7.000E+12 0.000 -1003.824 CH3+C3H3O6r_13=CH3O+C3H3O5r_5 7.000E+12 0.000 -1003.824 CH3+C3H3O6r_16=CH3O+C3H3O5r_6 7.000E+12 0.000 -1003.824 CH3+C3H3O6r_19=CH3O+C3H3O5r_7 7.000E+12 0.000 -1003.824 CH3+C3H3O6r_1=CH3O+C3H3O5r 7.000E+12 0.000 -1003.824 CH3+C3H3O6r_4=CH3O+C3H3O5r_1 7.000E+12 0.000 -1003.824 CH3+C3H5O5r=CH3O+C3H5O4r 7.000E+12 0.000 -1003.824 CH3+C3H5O5r_12=CH3O+C3H5O4r_6 7.000E+12 0.000 -1003.824 CH3+C3H5O5r_15=CH3O+C3H5O4r_7 7.000E+12 0.000 -1003.824 CH3+C3H5O5r_2=CH3O+C3H5O4r_1 7.000E+12 0.000 -1003.824 CH3+C3H5O5r_3=CH3O+C3H5O4r_2 7.000E+12 0.000 -1003.824 CH3+C3H5O5r_6=CH3O+C3H5O4r_4 7.000E+12 0.000 -1003.824 CH3+C3H5O5r_7=CH3O+C3H5O4r_5 7.000E+12 0.000 -1003.824 CH3+C3H7O4r=CH3O+C3H7O3r 7.000E+12 0.000 -1003.824 CH3+C3H7O4r_3=CH3O+C3H7O3r_1 7.000E+12 0.000 -1003.824 CH3+HOCH2O2=CH3O+HOCH2O 7.000E+12 0.000 -1003.824 CH3+CH3O4r=CH3O+CH3O3r_2 7.000E+12 0.000 -1003.824 CHO2r_1+C2H3O4r=CHO3r_1+C2H3O3r 7.000E+12 0.000 -1003.824 CHO2r_1+C2H3O4r_1=CHO3r_1+OCH2OCHO 7.000E+12 0.000 -1003.824 CHO2r_1+C2H3O5r=CHO3r_1+C2H3O4r_5 7.000E+12 0.000 -1003.824 CHO2r_1+C2H3O5r_1=CHO3r_1+C2H3O4r_7 7.000E+12 0.000 -1003.824 CHO2r_1+C2H3O5r_2=CHO3r_1+C2H3O4r_6 7.000E+12 0.000 -1003.824 CHO2r_1+C2H3O5r_3=CHO3r_1+C2H3O4r_8 7.000E+12 0.000 -1003.824 CHO2r_1+C2H3O5r_4=CHO3r_1+C2H3O4r_9 7.000E+12 0.000 -1003.824 CHO2r_1+CH3OCH2O2=CHO3r_1+CH3OCH2O 7.000E+12 0.000 -1003.824 CHO2r_1+C2H5O4r=CHO3r_1+C2H5O3r_3 7.000E+12 0.000 -1003.824 CHO2r_1+C2H5O4r_1=CHO3r_1+C2H5O3r_2 7.000E+12 0.000 -1003.824 CHO2r_1+C2H5O4r_4=CHO3r_1+C2H5O3r_4 7.000E+12 0.000 -1003.824 CHO2r_1+C2HO5r=CHO3r_1+C2HO4r 7.000E+12 0.000 -1003.824 CHO2r_1+C3H3O6r=CHO3r_1+C3H3O5r_3 7.000E+12 0.000 -1003.824 CHO2r_1+C3H3O6r_12=CHO3r_1+C3H3O5r_5 7.000E+12 0.000 -1003.824 CHO2r_1+C3H3O6r_13=CHO3r_1+C3H3O5r_4 7.000E+12 0.000 -1003.824 CHO2r_1+C3H3O6r_16=CHO3r_1+C3H3O5r_6 7.000E+12 0.000 -1003.824 CHO2r_1+C3H3O6r_19=CHO3r_1+C3H3O5r_7 7.000E+12 0.000 -1003.824 CHO2r_1+C3H3O6r_1=CHO3r_1+C3H3O5r 7.000E+12 0.000 -1003.824 CHO2r_1+C3H3O6r_4=CHO3r_1+C3H3O5r_1 7.000E+12 0.000 -1003.824 CHO2r_1+C3H5O5r=CHO3r_1+C3H5O4r 7.000E+12 0.000 -1003.824 CHO2r_1+C3H5O5r_12=CHO3r_1+C3H5O4r_6 7.000E+12 0.000 -1003.824 CHO2r_1+C3H5O5r_15=CHO3r_1+C3H5O4r_7 7.000E+12 0.000 -1003.824 CHO2r_1+C3H5O5r_2=CHO3r_1+C3H5O4r_1 7.000E+12 0.000 -1003.824 CHO2r_1+C3H5O5r_3=CHO3r_1+C3H5O4r_2 7.000E+12 0.000 -1003.824 CHO2r_1+C3H5O5r_6=CHO3r_1+C3H5O4r_4 7.000E+12 0.000 -1003.824 CHO2r_1+C3H5O5r_7=CHO3r_1+C3H5O4r_5 7.000E+12 0.000 -1003.824 CHO2r_1+C3H7O4r=CHO3r_1+C3H7O3r 7.000E+12 0.000 -1003.824 CHO2r_1+C3H7O4r_3=CHO3r_1+C3H7O3r_1 7.000E+12 0.000 -1003.824 CHO2r_1+CH3O2=CHO3r_1+CH3O 7.000E+12 0.000 -1003.824 CHO2r_1+HOCH2O2=CHO3r_1+HOCH2O 7.000E+12 0.000 -1003.824 CHO2r_1+CH3O4r=CHO3r_1+CH3O3r_2 7.000E+12 0.000 -1003.824 HCO+C2H3O4r=OCHO+C2H3O3r 7.000E+12 0.000 -1003.824 HCO+C2H3O4r_1=OCHO+OCH2OCHO 7.000E+12 0.000 -1003.824 HCO+C2H3O5r=OCHO+C2H3O4r_5 7.000E+12 0.000 -1003.824 HCO+C2H3O5r_1=OCHO+C2H3O4r_7 7.000E+12 0.000 -1003.824 HCO+C2H3O5r_2=OCHO+C2H3O4r_7 7.000E+12 0.000 -1003.824 HCO+C2H3O5r_3=OCHO+C2H3O4r_8 7.000E+12 0.000 -1003.824 HCO+C2H3O5r_4=OCHO+C2H3O4r_9 7.000E+12 0.000 -1003.824 HCO+CH3OCH2O2=OCHO+CH3OCH2O 7.000E+12 0.000 -1003.824 HCO+C2H5O4r=OCHO+C2H5O3r_3 7.000E+12 0.000 -1003.824 HCO+C2H5O4r_1=OCHO+C2H5O3r_2 7.000E+12 0.000 -1003.824 HCO+C2H5O4r_4=OCHO+C2H5O3r_4 7.000E+12 0.000 -1003.824 HCO+C2HO5r=OCHO+C2HO4r 7.000E+12 0.000 -1003.824 HCO+C3H3O6r=OCHO+C3H3O5r_3 7.000E+12 0.000 -1003.824 HCO+C3H3O6r_12=OCHO+C3H3O5r_5 7.000E+12 0.000 -1003.824 HCO+C3H3O6r_13=OCHO+C3H3O5r_4 7.000E+12 0.000 -1003.824 HCO+C3H3O6r_16=OCHO+C3H3O5r_6 7.000E+12 0.000 -1003.824 HCO+C3H3O6r_19=OCHO+C3H3O5r_7 7.000E+12 0.000 -1003.824 HCO+C3H3O6r_1=OCHO+C3H3O5r 7.000E+12 0.000 -1003.824 HCO+C3H3O6r_4=OCHO+C3H3O5r_1 7.000E+12 0.000 -1003.824 HCO+C3H5O5r=OCHO+C3H5O4r 7.000E+12 0.000 -1003.824 HCO+C3H5O5r_12=OCHO+C3H5O4r_6 7.000E+12 0.000 -1003.824 HCO+C3H5O5r_15=OCHO+C3H5O4r_7 7.000E+12 0.000 -1003.824 HCO+C3H5O5r_2=OCHO+C3H5O4r_1 7.000E+12 0.000 -1003.824 HCO+C3H5O5r_3=OCHO+C3H5O4r_2 7.000E+12 0.000 -1003.824 HCO+C3H5O5r_6=OCHO+C3H5O4r_4 7.000E+12 0.000 -1003.824 HCO+C3H5O5r_7=OCHO+C3H5O4r_5 7.000E+12 0.000 -1003.824 HCO+C3H7O4r=OCHO+C3H7O3r 7.000E+12 0.000 -1003.824 HCO+C3H7O4r_3=OCHO+C3H7O3r_1 7.000E+12 0.000 -1003.824 HCO+CH3O2=OCHO+CH3O 7.000E+12 0.000 -1003.824 HCO+HOCH2O2=OCHO+HOCH2O 7.000E+12 0.000 -1003.824 HCO+CH3O4r=OCHO+CH3O3r_2 7.000E+12 0.000 -1003.824 !! Reaction Family: R+HO2->RO+OH Cai et al. C2H3O2r+HO2=C2H3O3r+OH 1.230E+13 0.000 -1003.824 CH2OCHO+HO2=OCH2OCHO+OH 1.230E+13 0.000 -1003.824 CH3OCO+HO2=C2H3O3r_2+OH 1.230E+13 0.000 -1003.824 C2H3O3r_3+HO2=C2H3O4r_7+OH 1.230E+13 0.000 -1003.824 C2H3O3r_5+HO2=C2H3O4r_5+OH 1.230E+13 0.000 -1003.824 C2H3O3r_6+HO2=C2H3O4r_8+OH 1.230E+13 0.000 -1003.824 C2H3O3r_6+HO2=C2H3O4r_9+OH 1.230E+13 0.000 -1003.824 HOCH2OCO+HO2=C2H3O4r_12+OH 1.230E+13 0.000 -1003.824 C2H5O2r_1+HO2=C2H5O3r_4+OH 1.230E+13 0.000 -1003.824 C2H5O2r_2+HO2=C2H5O3r_2+OH 1.230E+13 0.000 -1003.824 C2H5O2r_2+HO2=C2H5O3r_3+OH 1.230E+13 0.000 -1003.824 CH3OCH2+HO2=CH3OCH2O+OH 1.230E+13 0.000 -1003.824 C2HO3r+HO2=C2HO4r+OH 1.230E+13 0.000 -1003.824 C2HO3r_1+HO2=C2HO4r_1+OH 1.230E+13 0.000 -1003.824 C2HO4r_2+HO2=C2HO5r_3+OH 1.230E+13 0.000 -1003.824 C3H3O4r+HO2=C3H3O5r+OH 1.230E+13 0.000 -1003.824 C3H3O4r+HO2=C3H3O5r_3+OH 1.230E+13 0.000 -1003.824 C3H3O4r_1+HO2=C3H3O5r_2+OH 1.230E+13 0.000 -1003.824 C3H3O4r_2+HO2=C3H3O5r_1+OH 1.230E+13 0.000 -1003.824 C3H3O4r_3+HO2=C3H3O5r_8+OH 1.230E+13 0.000 -1003.824 C3H3O4r_4+HO2=C3H3O5r_4+OH 1.230E+13 0.000 -1003.824 C3H3O4r_5+HO2=C3H3O5r_9+OH 1.230E+13 0.000 -1003.824 C3H3O4r_7+HO2=C3H3O5r_6+OH 1.230E+13 0.000 -1003.824 C3H3O4r_8+HO2=C3H3O5r_7+OH 1.230E+13 0.000 -1003.824 C3H5O3r+HO2=C3H5O4r_2+OH 1.230E+13 0.000 -1003.824 C3H5O3r_1+HO2=C3H5O4r_1+OH 1.230E+13 0.000 -1003.824 C3H5O3r_3+HO2=C3H5O4r+OH 1.230E+13 0.000 -1003.824 C3H5O3r_4+HO2=C3H5O4r_4+OH 1.230E+13 0.000 -1003.824 C3H5O3r_4+HO2=C3H5O4r_5+OH 1.230E+13 0.000 -1003.824 C3H5O3r_5+HO2=C3H5O4r_6+OH 1.230E+13 0.000 -1003.824 C3H5O3r_6+HO2=C3H5O4r_7+OH 1.230E+13 0.000 -1003.824 C3H5O3r_7+HO2=C3H5O4r_8+OH 1.230E+13 0.000 -1003.824 C3H7O2r+HO2=C3H7O3r_1+OH 1.230E+13 0.000 -1003.824 C3H7O2r_1+HO2=C3H7O3r+OH 1.230E+13 0.000 -1003.824 CH3O2r_3+HO2=CH3O3r_2+OH 1.230E+13 0.000 -1003.824 CHO2r_1+HO2=CHO3r_1+OH 1.230E+13 0.000 -1003.824 HCO+HO2=OCHO+OH 1.230E+13 0.000 -1003.824 !! Reaction Family: R+CH3O2->RO+CH3O Cai et al. C2H3O3r_3+CH3O2=C2H3O4r_7+CH3O 7.000E+12 0.000 -1003.824 C2H3O3r_5+CH3O2=C2H3O4r_5+CH3O 7.000E+12 0.000 -1003.824 C2H3O3r_6+CH3O2=C2H3O4r_8+CH3O 7.000E+12 0.000 -1003.824 C2H3O3r_6+CH3O2=C2H3O4r_9+CH3O 7.000E+12 0.000 -1003.824 HOCH2OCO+CH3O2=C2H3O4r_12+CH3O 7.000E+12 0.000 -1003.824 C2HO3r+CH3O2=C2HO4r+CH3O 7.000E+12 0.000 -1003.824 C2HO3r_1+CH3O2=C2HO4r_1+CH3O 7.000E+12 0.000 -1003.824 C2HO4r_2+CH3O2=C2HO5r_3+CH3O 7.000E+12 0.000 -1003.824 C3H3O4r+CH3O2=C3H3O5r+CH3O 7.000E+12 0.000 -1003.824 C3H3O4r+CH3O2=C3H3O5r_3+CH3O 7.000E+12 0.000 -1003.824 C3H3O4r_1+CH3O2=C3H3O5r_2+CH3O 7.000E+12 0.000 -1003.824 C3H3O4r_2+CH3O2=C3H3O5r_1+CH3O 7.000E+12 0.000 -1003.824 C3H3O4r_3+CH3O2=C3H3O5r_8+CH3O 7.000E+12 0.000 -1003.824 C3H3O4r_4+CH3O2=C3H3O5r_4+CH3O 7.000E+12 0.000 -1003.824 C3H3O4r_5+CH3O2=C3H3O5r_9+CH3O 7.000E+12 0.000 -1003.824 C3H3O4r_7+CH3O2=C3H3O5r_6+CH3O 7.000E+12 0.000 -1003.824 C3H3O4r_8+CH3O2=C3H3O5r_7+CH3O 7.000E+12 0.000 -1003.824 C3H5O3r+CH3O2=C3H5O4r_2+CH3O 7.000E+12 0.000 -1003.824 C3H5O3r_1+CH3O2=C3H5O4r_1+CH3O 7.000E+12 0.000 -1003.824 C3H5O3r_3+CH3O2=C3H5O4r+CH3O 7.000E+12 0.000 -1003.824 C3H5O3r_4+CH3O2=C3H5O4r_4+CH3O 7.000E+12 0.000 -1003.824 C3H5O3r_4+CH3O2=C3H5O4r_5+CH3O 7.000E+12 0.000 -1003.824 C3H5O3r_5+CH3O2=C3H5O4r_6+CH3O 7.000E+12 0.000 -1003.824 C3H5O3r_6+CH3O2=C3H5O4r_7+CH3O 7.000E+12 0.000 -1003.824 C3H5O3r_7+CH3O2=C3H5O4r_8+CH3O 7.000E+12 0.000 -1003.824 !! Reaction Family: HOOQOO*->HOOQO*+*OH 6-membered ring (5 non-H atoms) abstraction - Sharma et al. !! Reaction Family: HOOQOO*->HOOQO*+*OH 6-membered ring (5 non-H atoms) abstraction - Sharma et al. C2H5O6r=C2H4O5+OH 5.790E+01 2.900 16993.307 C2H5O6r_1=C2H4O5+OH 5.790E+01 2.900 16993.307 !! Reaction Family: HOOQOO*->HOOQO*+*OH 6-membered ring (5 non-H atoms) abstraction - Cai et al. !! Reaction Family: HOOQOO*->HOOQO*+*OH 6-membered ring (5 non-H atoms) abstraction - Cai et al. C2H3O6r_2=C2H2O5_1+OH 4.470E+02 3.100 17495.219 DUP C2H3O6r_3=C2H2O5_1+OH 4.470E+02 3.100 17495.219 DUP !! Reaction Family: HOOQOO*->HOOQO*+*OH 8-membered ring (7 non-H atoms) abstraction - Cai et al. !! Reaction Family: ROO*->Q*OOH 4-membered ring (3 non-H atoms) abstraction from secondary carbon - Sharma et al. C2H3O5r=C2H2O4+OH 5.790E+08 1.300 39698.851 C2H3O6r_1=C2H2O5+OH 5.790E+08 1.300 39698.851 C2H5O4r_4=C2H4O3_2+OH 5.790E+08 1.300 39698.851 C2H5O6r=C2H4O5_1+OH 5.790E+08 1.300 39698.851 C2H5O6r_1=C2H4O5_2+OH 5.790E+08 1.300 39698.851 C3H3O6r_19=C3H2O5_1+OH 5.790E+08 1.300 39698.851 C3H5O5r=C3H4O4+OH 5.790E+08 1.300 39698.851 C3H5O5r_15=C3H4O4_4+OH 5.790E+08 1.300 39698.851 C3H5O5r_2=C3H4O4_2+OH 5.790E+08 1.300 39698.851 HOCH2O2=HOCHO+OH 5.790E+08 1.300 39698.851 !! Reaction Family: ROO*->Q*OOH 4-membered ring (3 non-H atoms) abstraction from tertiary carbon - Sharma et al. C2H3O4r=C2H2O3+OH 5.300E+09 1.000 38503.822 C2H3O5r_1=C2H2O4_1+OH 5.300E+09 1.000 38503.822 C2H3O5r_2=C2H2O4_1+OH 5.300E+09 1.000 38503.822 C2H3O5r_3=C2H2O4+OH 5.300E+09 1.000 38503.822 C2H3O5r_4=C2H2O4+OH 5.300E+09 1.000 38503.822 C2H3O6r_2=C2H2O5_1+OH 5.300E+09 1.000 38503.822 DUP C2H3O6r_3=C2H2O5_1+OH 5.300E+09 1.000 38503.822 DUP C2H5O4r=C2H4O3+OH 5.300E+09 1.000 38503.822 C2H5O4r_1=C2H4O3+OH 5.300E+09 1.000 38503.822 C2HO5r=C2O4+OH 5.300E+09 1.000 38503.822 C3H3O6r=C3H2O5+OH 5.300E+09 1.000 38503.822 C3H3O6r_12=C3H2O5_1+OH 5.300E+09 1.000 38503.822 C3H3O6r_13=C3H2O5_1+OH 5.300E+09 1.000 38503.822 C3H3O6r_1=C3H2O5+OH 5.300E+09 1.000 38503.822 C3H5O5r_12=C3H4O4_1+OH 5.300E+09 1.000 38503.822 C3H5O5r_3=C3H4O4_3+OH 5.300E+09 1.000 38503.822 C3H5O5r_6=C3H4O4+OH 5.300E+09 1.000 38503.822 C3H5O5r_7=C3H4O4+OH 5.300E+09 1.000 38503.822 CH3O4r=CH2O3+OH 5.300E+09 1.000 38503.822 O2CHO=CO2+OH 5.300E+09 1.000 38503.822 !! Reaction Family: ROO*->Q*OOH 6-membered ring (5 non-H atoms) abstraction from primary carbon - Cai et al. C2H5O4r=C2H5O4r_3 5.680E+08 0.780 21845.123 C2H5O4r_1=C2H5O4r_2 5.680E+08 0.780 21845.123 C3H5O5r_6=C3H5O5r_10 5.680E+08 0.780 21845.123 C3H5O5r_7=C3H5O5r_8 5.680E+08 0.780 21845.123 !! Reaction Family: ROO*->Q*OOH 6-membered ring (5 non-H atoms) abstraction from secondary carbon - Cai et al. C3H3O6r=C3H3O6r_3 5.010E+10 0.130 19478.966 C3H3O6r_1=C3H3O6r_2 5.010E+10 0.130 19478.966 C3H3O6r_6=C3H3O6r_7 5.010E+10 0.130 19478.966 C3H5O5r_12=C3H5O5r_13 5.010E+10 0.130 19478.966 C3H5O5r_12=C3H5O5r_14 5.010E+10 0.130 19478.966 C3H5O5r_15=C3H5O5r_16 5.010E+10 0.130 19478.966 C3H5O5r_18=C3H5O5r_19 5.010E+10 0.130 19478.966 !! Reaction Family: ROO*->Q*OOH 6-membered ring (5 non-H atoms) abstraction from tertiary carbon - Bugler et al. C2H3O5r_3=C2H3O5r_6 1.820E+07 1.190 15009.559 C2H3O5r_4=C2H3O5r_5 1.820E+07 1.190 15009.559 C2HO5r_1=C2HO5r_2 1.820E+07 1.190 15009.559 C3H3O6r_16=C3H3O6r_17 1.820E+07 1.190 15009.559 C3H3O6r_16=C3H3O6r_18 1.820E+07 1.190 15009.559 C3H5O5r_6=C3H5O5r_11 1.820E+07 1.190 15009.559 C3H5O5r_7=C3H5O5r_9 1.820E+07 1.190 15009.559 !! Reaction Family: ROO*->Q*OOH 8-membered ring (7 non-H atoms) abstraction from primary carbon - Bugler et al. C3H3O6r_9=C3H3O6r_10 2.970E+07 0.800 21391.012 C3H5O5r=C3H5O5r_1 2.970E+07 0.800 21391.012 C3H5O5r_18=C3H5O5r_20 2.970E+07 0.800 21391.012 C3H5O5r_3=C3H5O5r_4 2.970E+07 0.800 21391.012 C3H5O5r_3=C3H5O5r_5 2.970E+07 0.800 21391.012 !! Reaction Family: ROO*->Q*OOH 8-membered ring (7 non-H atoms) abstraction from tertiary carbon - Bugler et al. C3H3O6r_12=C3H3O6r_14 2.960E+09 0.040 16347.991 C3H3O6r_12=C3H3O6r_15 2.960E+09 0.040 16347.991 C3H3O6r_13=C3H3O6r_14 2.960E+09 0.040 16347.991 C3H3O6r_4=C3H3O6r_5 2.960E+09 0.040 16347.991 C3H3O6r_6=C3H3O6r_8 2.960E+09 0.040 16347.991 C3H5O5r_15=C3H5O5r_17 2.960E+09 0.040 16347.991 !! Reaction Family: RO2+HO2->ROOH+O2 Cai et al C2H3O4r+HO2=C2H4O4_1+O2 1.750E+10 0.000 -3274.378 C2H3O4r_1+HO2=HO2CH2OCHO+O2 1.750E+10 0.000 -3274.378 C2H3O5r+HO2=C2H4O5+O2 1.750E+10 0.000 -3274.378 C2H3O5r_1+HO2=C2H4O5_3+O2 1.750E+10 0.000 -3274.378 C2H3O5r_2+HO2=C2H4O5_3+O2 1.750E+10 0.000 -3274.378 C2H3O5r_3+HO2=C2H4O5_1+O2 1.750E+10 0.000 -3274.378 C2H3O5r_4+HO2=C2H4O5_2+O2 1.750E+10 0.000 -3274.378 CH3OCH2O2+HO2=CH3OCH2O2H+O2 1.750E+10 0.000 -3274.378 C2H5O4r+HO2=C2H6O4_1+O2 1.750E+10 0.000 -3274.378 C2H5O4r_1+HO2=C2H6O4_2+O2 1.750E+10 0.000 -3274.378 C2H5O4r_4+HO2=C2H6O4+O2 1.750E+10 0.000 -3274.378 C2HO5r+HO2=C2H2O5_1+O2 1.750E+10 0.000 -3274.378 C3H3O6r+HO2=C3H4O6+O2 1.750E+10 0.000 -3274.378 C3H3O6r_1+HO2=C3H4O6_2+O2 1.750E+10 0.000 -3274.378 C3H3O6r_12+HO2=C3H4O6_1+O2 1.750E+10 0.000 -3274.378 C3H3O6r_13+HO2=C3H4O6_1+O2 1.750E+10 0.000 -3274.378 C3H3O6r_16+HO2=C3H4O6_5+O2 1.750E+10 0.000 -3274.378 C3H3O6r_19+HO2=C3H4O6_4+O2 1.750E+10 0.000 -3274.378 C3H3O6r_4+HO2=C3H4O6_3+O2 1.750E+10 0.000 -3274.378 C3H5O5r+HO2=C3H6O5+O2 1.750E+10 0.000 -3274.378 C3H5O5r_12+HO2=C3H6O5_4+O2 1.750E+10 0.000 -3274.378 C3H5O5r_15+HO2=C3H6O5_3+O2 1.750E+10 0.000 -3274.378 C3H5O5r_2+HO2=C3H6O5_5+O2 1.750E+10 0.000 -3274.378 C3H5O5r_3+HO2=C3H6O5_6+O2 1.750E+10 0.000 -3274.378 C3H5O5r_6+HO2=C3H6O5_2+O2 1.750E+10 0.000 -3274.378 C3H5O5r_7+HO2=C3H6O5_1+O2 1.750E+10 0.000 -3274.378 C3H7O4r+HO2=C3H8O4_1+O2 1.750E+10 0.000 -3274.378 C3H7O4r_3+HO2=C3H8O4+O2 1.750E+10 0.000 -3274.378 CH3O4r+HO2=CH4O4+O2 1.750E+10 0.000 -3274.378 !! Reaction Family: RO2+H2O2->ROOH+HO2 Cai et al C2H3O4r+H2O2=C2H4O4_1+HO2 2.400E+12 0.000 9990.439 C2H3O4r_1+H2O2=HO2CH2OCHO+HO2 2.400E+12 0.000 9990.439 C2H3O5r+H2O2=C2H4O5+HO2 2.400E+12 0.000 9990.439 C2H3O5r_1+H2O2=C2H4O5_4+HO2 2.400E+12 0.000 9990.439 C2H3O5r_2+H2O2=C2H4O5_3+HO2 2.400E+12 0.000 9990.439 C2H3O5r_2+H2O2=C2H4O5_4+HO2 2.400E+12 0.000 9990.439 C2H3O5r_3+H2O2=C2H4O5_1+HO2 2.400E+12 0.000 9990.439 C2H3O5r_4+H2O2=C2H4O5_2+HO2 2.400E+12 0.000 9990.439 CH3OCH2O2+H2O2=CH3OCH2O2H+HO2 2.400E+12 0.000 9990.439 C2H5O4r+H2O2=C2H6O4_1+HO2 2.400E+12 0.000 9990.439 C2H5O4r_1+H2O2=C2H6O4_2+HO2 2.400E+12 0.000 9990.439 C2H5O4r_4+H2O2=C2H6O4+HO2 2.400E+12 0.000 9990.439 C2HO5r+H2O2=C2H2O5_1+HO2 2.400E+12 0.000 9990.439 C3H3O6r+H2O2=C3H4O6+HO2 2.400E+12 0.000 9990.439 C3H3O6r_1+H2O2=C3H4O6_2+HO2 2.400E+12 0.000 9990.439 C3H3O6r_12+H2O2=C3H4O6_1+HO2 2.400E+12 0.000 9990.439 C3H3O6r_12+H2O2=C3H4O6_6+HO2 2.400E+12 0.000 9990.439 C3H3O6r_13+H2O2=C3H4O6_1+HO2 2.400E+12 0.000 9990.439 C3H3O6r_13+H2O2=C3H4O6_6+HO2 2.400E+12 0.000 9990.439 C3H3O6r_16+H2O2=C3H4O6_5+HO2 2.400E+12 0.000 9990.439 C3H3O6r_19+H2O2=C3H4O6_4+HO2 2.400E+12 0.000 9990.439 C3H3O6r_4+H2O2=C3H4O6_3+HO2 2.400E+12 0.000 9990.439 C3H5O5r+H2O2=C3H6O5+HO2 2.400E+12 0.000 9990.439 C3H5O5r_12+H2O2=C3H6O5_4+HO2 2.400E+12 0.000 9990.439 C3H5O5r_15+H2O2=C3H6O5_3+HO2 2.400E+12 0.000 9990.439 C3H5O5r_2+H2O2=C3H6O5_5+HO2 2.400E+12 0.000 9990.439 C3H5O5r_3+H2O2=C3H6O5_6+HO2 2.400E+12 0.000 9990.439 C3H5O5r_3+H2O2=C3H6O5_7+HO2 2.400E+12 0.000 9990.439 C3H5O5r_6+H2O2=C3H6O5_2+HO2 2.400E+12 0.000 9990.439 C3H5O5r_7+H2O2=C3H6O5_1+HO2 2.400E+12 0.000 9990.439 C3H7O4r+H2O2=C3H8O4_1+HO2 2.400E+12 0.000 9990.439 C3H7O4r_3+H2O2=C3H8O4+HO2 2.400E+12 0.000 9990.439 HOCH2O2+H2O2=HOCH2O2H+HO2 2.400E+12 0.000 9990.439 CH3O4r+H2O2=CH4O4+HO2 2.400E+12 0.000 9990.439 !! Reaction Family: RO2+CH3O2->RO+CH3O+O2 Cai et al C2H3O4r+CH3O2=C2H3O3r+O2+CH3O 1.400E+16 -1.610 1864.245 C2H3O4r_1+CH3O2=OCH2OCHO+O2+CH3O 1.400E+16 -1.610 1864.245 C2H3O5r+CH3O2=C2H3O4r_5+O2+CH3O 1.400E+16 -1.610 1864.245 C2H3O5r_1+CH3O2=C2H3O4r_6+O2+CH3O 1.400E+16 -1.610 1864.245 C2H3O5r_2+CH3O2=C2H3O4r_7+O2+CH3O 1.400E+16 -1.610 1864.245 C2H3O5r_3+CH3O2=C2H3O4r_8+O2+CH3O 1.400E+16 -1.610 1864.245 C2H3O5r_4+CH3O2=C2H3O4r_9+O2+CH3O 1.400E+16 -1.610 1864.245 CH3OCH2O2+CH3O2=CH3OCH2O+O2+CH3O 1.400E+16 -1.610 1864.245 C2H5O4r+CH3O2=C2H5O3r_3+O2+CH3O 1.400E+16 -1.610 1864.245 C2H5O4r_1+CH3O2=C2H5O3r_2+O2+CH3O 1.400E+16 -1.610 1864.245 C2H5O4r_4+CH3O2=C2H5O3r_4+O2+CH3O 1.400E+16 -1.610 1864.245 C2HO5r+CH3O2=C2HO4r+O2+CH3O 1.400E+16 -1.610 1864.245 C3H3O6r+CH3O2=C3H3O5r_3+O2+CH3O 1.400E+16 -1.610 1864.245 C3H3O6r_1+CH3O2=C3H3O5r+O2+CH3O 1.400E+16 -1.610 1864.245 C3H3O6r_12+CH3O2=C3H3O5r_4+O2+CH3O 1.400E+16 -1.610 1864.245 C3H3O6r_13+CH3O2=C3H3O5r_5+O2+CH3O 1.400E+16 -1.610 1864.245 C3H3O6r_16+CH3O2=C3H3O5r_6+O2+CH3O 1.400E+16 -1.610 1864.245 C3H3O6r_19+CH3O2=C3H3O5r_7+O2+CH3O 1.400E+16 -1.610 1864.245 C3H3O6r_4+CH3O2=C3H3O5r_1+O2+CH3O 1.400E+16 -1.610 1864.245 C3H5O5r+CH3O2=C3H5O4r+O2+CH3O 1.400E+16 -1.610 1864.245 C3H5O5r_12+CH3O2=C3H5O4r_6+O2+CH3O 1.400E+16 -1.610 1864.245 C3H5O5r_15+CH3O2=C3H5O4r_7+O2+CH3O 1.400E+16 -1.610 1864.245 C3H5O5r_2+CH3O2=C3H5O4r_1+O2+CH3O 1.400E+16 -1.610 1864.245 C3H5O5r_3+CH3O2=C3H5O4r_2+O2+CH3O 1.400E+16 -1.610 1864.245 C3H5O5r_6+CH3O2=C3H5O4r_4+O2+CH3O 1.400E+16 -1.610 1864.245 C3H5O5r_7+CH3O2=C3H5O4r_5+O2+CH3O 1.400E+16 -1.610 1864.245 C3H7O4r+CH3O2=C3H7O3r+O2+CH3O 1.400E+16 -1.610 1864.245 C3H7O4r_3+CH3O2=C3H7O3r_1+O2+CH3O 1.400E+16 -1.610 1864.245 HOCH2O2+CH3O2=HOCH2O+O2+CH3O 1.400E+16 -1.610 1864.245 CH3O4r+CH3O2=CH3O3r_2+O2+CH3O 1.400E+16 -1.610 1864.245 !! Reaction Family: RO2+RO2->RO+RO+O2 Cai et al C2H3O4r+C2H3O4r=C2H3O3r+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C2H3O4r+C2H3O5r_1=C2H3O3r+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C2H3O4r+CH3OCH2O2=C2H3O3r+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C2H3O4r+C3H3O6r_13=C2H3O3r+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C2H3O4r+C3H5O5r_3=C2H3O3r+O2+C3H5O4r_2 1.400E+16 -1.610 1864.245 C2H3O4r_1+C2H3O4r=OCH2OCHO+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C2H3O4r_1+C2H3O4r_1=OCH2OCHO+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C2H3O4r_1+C2H3O5r_1=OCH2OCHO+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C2H3O4r_1+C2H3O5r_2=OCH2OCHO+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C2H3O4r_1+CH3OCH2O2=OCH2OCHO+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C2H3O4r_1+C2HO5r=OCH2OCHO+O2+C2HO4r 1.400E+16 -1.610 1864.245 C2H3O4r_1+C3H3O6r_12=OCH2OCHO+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C2H3O4r_1+C3H5O5r_3=OCH2OCHO+O2+C3H5O4r_2 1.400E+16 -1.610 1864.245 C2H3O5r+C2H3O4r=C2H3O4r_5+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C2H3O5r+C2H3O4r_1=C2H3O4r_5+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C2H3O5r+C2H3O5r=C2H3O4r_5+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C2H3O5r+CH3OCH2O2=C2H3O4r_5+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C2H3O5r+C2H5O4r_1=C2H3O4r_5+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C2H3O5r+C2HO5r=C2H3O4r_5+O2+C2HO4r 1.400E+16 -1.610 1864.245 C2H3O5r+C3H3O6r_12=C2H3O4r_5+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C2H3O5r+HOCH2O2=C2H3O4r_5+O2+HOCH2O 1.400E+16 -1.610 1864.245 C2H3O5r+CH3O4r=C2H3O4r_5+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C2H3O5r_1+C2H3O4r=C2H3O4r_7+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C2H3O5r_1+C2H3O4r_1=C2H3O4r_6+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C2H3O5r_1+C2H3O5r=C2H3O4r_7+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C2H3O5r_1+C2H3O5r_1=C2H3O4r_6+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C2H3O5r_1+C2H3O5r_1=C2H3O4r_7+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C2H3O5r_1+C2H3O5r_2=C2H3O4r_6+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C2H3O5r_1+C2H3O5r_3=C2H3O4r_6+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C2H3O5r_1+CH3OCH2O2=C2H3O4r_7+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C2H3O5r_1+C2H5O4r=C2H3O4r_7+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C2H3O5r_1+C2H5O4r_1=C2H3O4r_6+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C2H3O5r_1+C2H5O4r_4=C2H3O4r_6+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C2H3O5r_1+C2HO5r=C2H3O4r_6+O2+C2HO4r 1.400E+16 -1.610 1864.245 C2H3O5r_1+C3H3O6r_13=C2H3O4r_7+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C2H3O5r_1+C3H3O6r_16=C2H3O4r_6+O2+C3H3O5r_6 1.400E+16 -1.610 1864.245 C2H3O5r_1+C3H3O6r_1=C2H3O4r_7+O2+C3H3O5r 1.400E+16 -1.610 1864.245 C2H3O5r_1+C3H5O5r_15=C2H3O4r_7+O2+C3H5O4r_7 1.400E+16 -1.610 1864.245 C2H3O5r_1+C3H5O5r_2=C2H3O4r_7+O2+C3H5O4r_1 1.400E+16 -1.610 1864.245 C2H3O5r_1+C3H5O5r_3=C2H3O4r_7+O2+C3H5O4r_3 1.400E+16 -1.610 1864.245 C2H3O5r_1+C3H7O4r=C2H3O4r_6+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C2H3O5r_1+HOCH2O2=C2H3O4r_7+O2+HOCH2O 1.400E+16 -1.610 1864.245 C2H3O5r_1+CH3O4r=C2H3O4r_6+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C2H3O5r_2+C2H3O4r=C2H3O4r_7+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C2H3O5r_2+C2H3O4r_1=C2H3O4r_6+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C2H3O5r_2+C2H3O5r=C2H3O4r_7+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C2H3O5r_2+C2H3O5r_1=C2H3O4r_6+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C2H3O5r_2+C2H3O5r_2=C2H3O4r_6+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C2H3O5r_2+C2H3O5r_2=C2H3O4r_7+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C2H3O5r_2+CH3OCH2O2=C2H3O4r_7+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C2H3O5r_2+C2H5O4r_1=C2H3O4r_7+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C2H3O5r_2+C2HO5r=C2H3O4r_6+O2+C2HO4r 1.400E+16 -1.610 1864.245 C2H3O5r_2+C3H3O6r_12=C2H3O4r_6+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C2H3O5r_2+C3H3O6r_16=C2H3O4r_7+O2+C3H3O5r_6 1.400E+16 -1.610 1864.245 C2H3O5r_2+C3H3O6r_19=C2H3O4r_6+O2+C3H3O5r_7 1.400E+16 -1.610 1864.245 C2H3O5r_2+C3H5O5r_2=C2H3O4r_6+O2+C3H5O4r_1 1.400E+16 -1.610 1864.245 C2H3O5r_2+C3H5O5r_3=C2H3O4r_7+O2+C3H5O4r_2 1.400E+16 -1.610 1864.245 C2H3O5r_2+C3H7O4r=C2H3O4r_7+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C2H3O5r_2+HOCH2O2=C2H3O4r_6+O2+HOCH2O 1.400E+16 -1.610 1864.245 C2H3O5r_2+CH3O4r=C2H3O4r_7+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C2H3O5r_3+C2H3O4r=C2H3O4r_8+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C2H3O5r_3+C2H3O4r_1=C2H3O4r_8+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C2H3O5r_3+C2H3O5r=C2H3O4r_8+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C2H3O5r_3+C2H3O5r_1=C2H3O4r_8+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C2H3O5r_3+C2H3O5r_2=C2H3O4r_8+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C2H3O5r_3+C2H3O5r_3=C2H3O4r_8+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C2H3O5r_3+C2H3O5r_4=C2H3O4r_8+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C2H3O5r_3+CH3OCH2O2=C2H3O4r_8+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C2H3O5r_3+C2H5O4r_1=C2H3O4r_8+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C2H3O5r_3+C2HO5r=C2H3O4r_8+O2+C2HO4r 1.400E+16 -1.610 1864.245 C2H3O5r_3+C3H3O6r_12=C2H3O4r_8+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C2H3O5r_3+C3H5O5r_3=C2H3O4r_8+O2+C3H5O4r_3 1.400E+16 -1.610 1864.245 C2H3O5r_3+HOCH2O2=C2H3O4r_8+O2+HOCH2O 1.400E+16 -1.610 1864.245 C2H3O5r_3+CH3O4r=C2H3O4r_8+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C2H3O5r_4+C2H3O4r=C2H3O4r_9+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C2H3O5r_4+C2H3O4r_1=C2H3O4r_9+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C2H3O5r_4+C2H3O5r=C2H3O4r_9+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C2H3O5r_4+C2H3O5r_1=C2H3O4r_9+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C2H3O5r_4+C2H3O5r_2=C2H3O4r_9+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C2H3O5r_4+C2H3O5r_4=C2H3O4r_9+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C2H3O5r_4+CH3OCH2O2=C2H3O4r_9+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C2H3O5r_4+C2H5O4r_1=C2H3O4r_9+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C2H3O5r_4+C2HO5r=C2H3O4r_9+O2+C2HO4r 1.400E+16 -1.610 1864.245 C2H3O5r_4+C3H3O6r_13=C2H3O4r_9+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C2H3O5r_4+C3H5O5r_3=C2H3O4r_9+O2+C3H5O4r_2 1.400E+16 -1.610 1864.245 C2H3O5r_4+HOCH2O2=C2H3O4r_9+O2+HOCH2O 1.400E+16 -1.610 1864.245 C2H3O5r_4+CH3O4r=C2H3O4r_9+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 CH3OCH2O2+C2H3O5r_2=CH3OCH2O+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 CH3OCH2O2+C3H3O6r_12=CH3OCH2O+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C2H5O4r+C2H3O4r=C2H5O3r_3+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C2H5O4r+C2H3O4r_1=C2H5O3r_3+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C2H5O4r+C2H3O5r=C2H5O3r_3+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C2H5O4r+C2H3O5r_1=C2H5O3r_3+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C2H5O4r+C2H3O5r_2=C2H5O3r_3+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C2H5O4r+C2H3O5r_3=C2H5O3r_3+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C2H5O4r+C2H3O5r_4=C2H5O3r_3+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C2H5O4r+CH3OCH2O2=C2H5O3r_3+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C2H5O4r+C2H5O4r=C2H5O3r_3+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C2H5O4r+C2H5O4r_1=C2H5O3r_3+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C2H5O4r+C2HO5r=C2H5O3r_3+O2+C2HO4r 1.400E+16 -1.610 1864.245 C2H5O4r+C3H3O6r_12=C2H5O3r_3+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C2H5O4r+C3H3O6r_13=C2H5O3r_3+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C2H5O4r+C3H5O5r_3=C2H5O3r_3+O2+C3H5O4r_3 1.400E+16 -1.610 1864.245 C2H5O4r+HOCH2O2=C2H5O3r_3+O2+HOCH2O 1.400E+16 -1.610 1864.245 C2H5O4r+CH3O4r=C2H5O3r_3+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C2H5O4r_1+C2H3O4r=C2H5O3r_2+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C2H5O4r_1+C2H3O4r_1=C2H5O3r_2+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C2H5O4r_1+C2H3O5r_1=C2H5O3r_2+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C2H5O4r_1+C2H3O5r_2=C2H5O3r_2+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C2H5O4r_1+CH3OCH2O2=C2H5O3r_2+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C2H5O4r_1+C2H5O4r_1=C2H5O3r_2+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C2H5O4r_1+C2HO5r=C2H5O3r_2+O2+C2HO4r 1.400E+16 -1.610 1864.245 C2H5O4r_1+C3H3O6r_12=C2H5O3r_2+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C2H5O4r_1+C3H5O5r_3=C2H5O3r_2+O2+C3H5O4r_2 1.400E+16 -1.610 1864.245 C2H5O4r_1+HOCH2O2=C2H5O3r_2+O2+HOCH2O 1.400E+16 -1.610 1864.245 C2H5O4r_1+CH3O4r=C2H5O3r_2+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C2H5O4r_4+C2H3O4r=C2H5O3r_4+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C2H5O4r_4+C2H3O4r_1=C2H5O3r_4+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C2H5O4r_4+C2H3O5r=C2H5O3r_4+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C2H5O4r_4+C2H3O5r_1=C2H5O3r_4+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C2H5O4r_4+C2H3O5r_2=C2H5O3r_4+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C2H5O4r_4+C2H3O5r_3=C2H5O3r_4+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C2H5O4r_4+C2H3O5r_4=C2H5O3r_4+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C2H5O4r_4+CH3OCH2O2=C2H5O3r_4+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C2H5O4r_4+C2H5O4r=C2H5O3r_4+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C2H5O4r_4+C2H5O4r_1=C2H5O3r_4+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C2H5O4r_4+C2H5O4r_4=C2H5O3r_4+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C2H5O4r_4+C2HO5r=C2H5O3r_4+O2+C2HO4r 1.400E+16 -1.610 1864.245 C2H5O4r_4+C3H3O6r_13=C2H5O3r_4+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C2H5O4r_4+C3H5O5r_3=C2H5O3r_4+O2+C3H5O4r_2 1.400E+16 -1.610 1864.245 C2H5O4r_4+HOCH2O2=C2H5O3r_4+O2+HOCH2O 1.400E+16 -1.610 1864.245 C2H5O4r_4+CH3O4r=C2H5O3r_4+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C2HO5r+C2H3O4r=C2HO4r+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C2HO5r+CH3OCH2O2=C2HO4r+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C2HO5r+C2HO5r=C2HO4r+O2+C2HO4r 1.400E+16 -1.610 1864.245 C2HO5r+C3H5O5r_3=C2HO4r+O2+C3H5O4r_3 1.400E+16 -1.610 1864.245 C3H3O6r+C2H3O4r=C3H3O5r_3+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H3O6r+C2H3O4r_1=C3H3O5r_3+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H3O6r+C2H3O5r=C3H3O5r_3+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H3O6r+C2H3O5r_1=C3H3O5r_3+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H3O6r+C2H3O5r_2=C3H3O5r_3+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C3H3O6r+C2H3O5r_3=C3H3O5r_3+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H3O6r+C2H3O5r_4=C3H3O5r_3+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H3O6r+CH3OCH2O2=C3H3O5r_3+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H3O6r+C2H5O4r=C3H3O5r_3+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H3O6r+C2H5O4r_1=C3H3O5r_3+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H3O6r+C2H5O4r_4=C3H3O5r_3+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H3O6r+C2HO5r=C3H3O5r_3+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H3O6r+C3H3O6r=C3H3O5r_3+O2+C3H3O5r_3 1.400E+16 -1.610 1864.245 C3H3O6r+C3H3O6r_12=C3H3O5r_3+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C3H3O6r+C3H3O6r_13=C3H3O5r_3+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C3H3O6r+C3H3O6r_1=C3H3O5r_3+O2+C3H3O5r 1.400E+16 -1.610 1864.245 C3H3O6r+C3H5O5r=C3H3O5r_3+O2+C3H5O4r 1.400E+16 -1.610 1864.245 C3H3O6r+C3H5O5r_3=C3H3O5r_3+O2+C3H5O4r_2 1.400E+16 -1.610 1864.245 C3H3O6r+C3H7O4r=C3H3O5r_3+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H3O6r+HOCH2O2=C3H3O5r_3+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H3O6r+CH3O4r=C3H3O5r_3+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C3H3O6r_1+C2H3O4r=C3H3O5r+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H3O6r_1+C2H3O4r_1=C3H3O5r+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H3O6r_1+C2H3O5r=C3H3O5r+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H3O6r_1+C2H3O5r_1=C3H3O5r+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H3O6r_1+C2H3O5r_2=C3H3O5r+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H3O6r_1+C2H3O5r_3=C3H3O5r+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H3O6r_1+C2H3O5r_4=C3H3O5r+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H3O6r_1+CH3OCH2O2=C3H3O5r+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H3O6r_1+C2H5O4r=C3H3O5r+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H3O6r_1+C2H5O4r_1=C3H3O5r+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H3O6r_1+C2H5O4r_4=C3H3O5r+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H3O6r_1+C2HO5r=C3H3O5r+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H3O6r_1+C3H3O6r_13=C3H3O5r+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C3H3O6r_1+C3H3O6r_1=C3H3O5r+O2+C3H3O5r 1.400E+16 -1.610 1864.245 C3H3O6r_1+C3H5O5r=C3H3O5r+O2+C3H5O4r 1.400E+16 -1.610 1864.245 C3H3O6r_1+C3H5O5r_3=C3H3O5r+O2+C3H5O4r_2 1.400E+16 -1.610 1864.245 C3H3O6r_1+C3H7O4r=C3H3O5r+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H3O6r_1+HOCH2O2=C3H3O5r+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H3O6r_1+CH3O4r=C3H3O5r+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C3H3O6r_12+C2H3O4r=C3H3O5r_5+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H3O6r_12+C2H3O4r_1=C3H3O5r_5+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H3O6r_12+C2H3O5r=C3H3O5r_5+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H3O6r_12+C2H3O5r_1=C3H3O5r_4+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C3H3O6r_12+C2H3O5r_2=C3H3O5r_4+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H3O6r_12+C2H3O5r_3=C3H3O5r_4+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H3O6r_12+C2H3O5r_4=C3H3O5r_4+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H3O6r_12+CH3OCH2O2=C3H3O5r_4+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H3O6r_12+C2H5O4r=C3H3O5r_5+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H3O6r_12+C2H5O4r_1=C3H3O5r_5+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H3O6r_12+C2H5O4r_4=C3H3O5r_4+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H3O6r_12+C2HO5r=C3H3O5r_5+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H3O6r_12+C3H3O6r=C3H3O5r_4+O2+C3H3O5r_3 1.400E+16 -1.610 1864.245 C3H3O6r_12+C3H3O6r_12=C3H3O5r_4+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C3H3O6r_12+C3H3O6r_12=C3H3O5r_4+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C3H3O6r_12+C3H3O6r_13=C3H3O5r_4+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C3H3O6r_12+C3H3O6r_19=C3H3O5r_5+O2+C3H3O5r_7 1.400E+16 -1.610 1864.245 C3H3O6r_12+C3H3O6r_1=C3H3O5r_4+O2+C3H3O5r 1.400E+16 -1.610 1864.245 C3H3O6r_12+C3H3O6r_4=C3H3O5r_5+O2+C3H3O5r_1 1.400E+16 -1.610 1864.245 C3H3O6r_12+C3H5O5r=C3H3O5r_4+O2+C3H5O4r 1.400E+16 -1.610 1864.245 C3H3O6r_12+C3H5O5r_2=C3H3O5r_4+O2+C3H5O4r_1 1.400E+16 -1.610 1864.245 C3H3O6r_12+C3H5O5r_7=C3H3O5r_5+O2+C3H5O4r_5 1.400E+16 -1.610 1864.245 C3H3O6r_12+C3H7O4r=C3H3O5r_4+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H3O6r_12+CH3O2=C3H3O5r_5+O2+CH3O 1.400E+16 -1.610 1864.245 C3H3O6r_12+HOCH2O2=C3H3O5r_4+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H3O6r_12+CH3O4r=C3H3O5r_4+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C3H3O6r_13+C2H3O4r=C3H3O5r_4+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H3O6r_13+C2H3O4r_1=C3H3O5r_4+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H3O6r_13+C2H3O5r=C3H3O5r_4+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H3O6r_13+C2H3O5r_1=C3H3O5r_5+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H3O6r_13+C2H3O5r_2=C3H3O5r_4+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H3O6r_13+C2H3O5r_3=C3H3O5r_5+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H3O6r_13+C2H3O5r_4=C3H3O5r_5+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H3O6r_13+CH3OCH2O2=C3H3O5r_5+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H3O6r_13+C2H5O4r=C3H3O5r_5+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H3O6r_13+C2H5O4r_1=C3H3O5r_5+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H3O6r_13+C2H5O4r_4=C3H3O5r_5+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H3O6r_13+C2HO5r=C3H3O5r_5+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H3O6r_13+C3H3O6r=C3H3O5r_5+O2+C3H3O5r_3 1.400E+16 -1.610 1864.245 C3H3O6r_13+C3H3O6r_12=C3H3O5r_4+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C3H3O6r_13+C3H3O6r_13=C3H3O5r_4+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C3H3O6r_13+C3H3O6r_13=C3H3O5r_5+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C3H3O6r_13+C3H3O6r_19=C3H3O5r_4+O2+C3H3O5r_7 1.400E+16 -1.610 1864.245 C3H3O6r_13+C3H3O6r_1=C3H3O5r_4+O2+C3H3O5r 1.400E+16 -1.610 1864.245 C3H3O6r_13+C3H3O6r_4=C3H3O5r_4+O2+C3H3O5r_1 1.400E+16 -1.610 1864.245 C3H3O6r_13+C3H5O5r=C3H3O5r_4+O2+C3H5O4r 1.400E+16 -1.610 1864.245 C3H3O6r_13+C3H5O5r_15=C3H3O5r_5+O2+C3H5O4r_7 1.400E+16 -1.610 1864.245 C3H3O6r_13+C3H5O5r_2=C3H3O5r_4+O2+C3H5O4r_1 1.400E+16 -1.610 1864.245 C3H3O6r_13+C3H5O5r_3=C3H3O5r_5+O2+C3H5O4r_3 1.400E+16 -1.610 1864.245 C3H3O6r_13+C3H7O4r=C3H3O5r_4+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H3O6r_13+C3H7O4r_3=C3H3O5r_4+O2+C3H7O3r_1 1.400E+16 -1.610 1864.245 C3H3O6r_13+HOCH2O2=C3H3O5r_5+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H3O6r_13+CH3O4r=C3H3O5r_5+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C3H3O6r_16+C2H3O4r=C3H3O5r_6+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H3O6r_16+C2H3O4r_1=C3H3O5r_6+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H3O6r_16+C2H3O5r=C3H3O5r_6+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H3O6r_16+C2H3O5r_1=C3H3O5r_6+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C3H3O6r_16+C2H3O5r_2=C3H3O5r_6+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H3O6r_16+C2H3O5r_3=C3H3O5r_6+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H3O6r_16+C2H3O5r_4=C3H3O5r_6+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H3O6r_16+CH3OCH2O2=C3H3O5r_6+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H3O6r_16+C2H5O4r=C3H3O5r_6+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H3O6r_16+C2H5O4r_1=C3H3O5r_6+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H3O6r_16+C2H5O4r_4=C3H3O5r_6+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H3O6r_16+C2HO5r=C3H3O5r_6+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H3O6r_16+C3H3O6r=C3H3O5r_6+O2+C3H3O5r_3 1.400E+16 -1.610 1864.245 C3H3O6r_16+C3H3O6r_12=C3H3O5r_6+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C3H3O6r_16+C3H3O6r_13=C3H3O5r_6+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C3H3O6r_16+C3H3O6r_16=C3H3O5r_6+O2+C3H3O5r_6 1.400E+16 -1.610 1864.245 C3H3O6r_16+C3H3O6r_1=C3H3O5r_6+O2+C3H3O5r 1.400E+16 -1.610 1864.245 C3H3O6r_16+C3H3O6r_4=C3H3O5r_6+O2+C3H3O5r_1 1.400E+16 -1.610 1864.245 C3H3O6r_16+C3H5O5r=C3H3O5r_6+O2+C3H5O4r 1.400E+16 -1.610 1864.245 C3H3O6r_16+C3H5O5r_2=C3H3O5r_6+O2+C3H5O4r_1 1.400E+16 -1.610 1864.245 C3H3O6r_16+C3H7O4r=C3H3O5r_6+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H3O6r_16+HOCH2O2=C3H3O5r_6+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H3O6r_16+CH3O4r=C3H3O5r_6+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C3H3O6r_19+C2H3O4r=C3H3O5r_7+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H3O6r_19+C2H3O4r_1=C3H3O5r_7+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H3O6r_19+C2H3O5r=C3H3O5r_7+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H3O6r_19+C2H3O5r_1=C3H3O5r_7+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C3H3O6r_19+C2H3O5r_2=C3H3O5r_7+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C3H3O6r_19+C2H3O5r_3=C3H3O5r_7+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H3O6r_19+C2H3O5r_4=C3H3O5r_7+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H3O6r_19+CH3OCH2O2=C3H3O5r_7+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H3O6r_19+C2H5O4r=C3H3O5r_7+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H3O6r_19+C2H5O4r_1=C3H3O5r_7+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H3O6r_19+C2H5O4r_4=C3H3O5r_7+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H3O6r_19+C2HO5r=C3H3O5r_7+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H3O6r_19+C3H3O6r=C3H3O5r_7+O2+C3H3O5r_3 1.400E+16 -1.610 1864.245 C3H3O6r_19+C3H3O6r_12=C3H3O5r_7+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C3H3O6r_19+C3H3O6r_13=C3H3O5r_7+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C3H3O6r_19+C3H3O6r_16=C3H3O5r_7+O2+C3H3O5r_6 1.400E+16 -1.610 1864.245 C3H3O6r_19+C3H3O6r_19=C3H3O5r_7+O2+C3H3O5r_7 1.400E+16 -1.610 1864.245 C3H3O6r_19+C3H3O6r_1=C3H3O5r_7+O2+C3H3O5r 1.400E+16 -1.610 1864.245 C3H3O6r_19+C3H3O6r_4=C3H3O5r_7+O2+C3H3O5r_1 1.400E+16 -1.610 1864.245 C3H3O6r_19+C3H5O5r=C3H3O5r_7+O2+C3H5O4r 1.400E+16 -1.610 1864.245 C3H3O6r_19+C3H5O5r_2=C3H3O5r_7+O2+C3H5O4r_1 1.400E+16 -1.610 1864.245 C3H3O6r_19+C3H5O5r_3=C3H3O5r_7+O2+C3H5O4r_3 1.400E+16 -1.610 1864.245 C3H3O6r_19+C3H7O4r=C3H3O5r_7+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H3O6r_19+HOCH2O2=C3H3O5r_7+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H3O6r_19+CH3O4r=C3H3O5r_7+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C3H3O6r_4+C2H3O4r=C3H3O5r_1+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H3O6r_4+C2H3O4r_1=C3H3O5r_1+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H3O6r_4+C2H3O5r=C3H3O5r_1+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H3O6r_4+C2H3O5r_1=C3H3O5r_1+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H3O6r_4+C2H3O5r_2=C3H3O5r_1+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H3O6r_4+C2H3O5r_3=C3H3O5r_1+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H3O6r_4+C2H3O5r_4=C3H3O5r_1+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H3O6r_4+CH3OCH2O2=C3H3O5r_1+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H3O6r_4+C2H5O4r=C3H3O5r_1+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H3O6r_4+C2H5O4r_1=C3H3O5r_1+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H3O6r_4+C2H5O4r_4=C3H3O5r_1+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H3O6r_4+C2HO5r=C3H3O5r_1+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H3O6r_4+C3H3O6r=C3H3O5r_1+O2+C3H3O5r_3 1.400E+16 -1.610 1864.245 C3H3O6r_4+C3H3O6r_13=C3H3O5r_1+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C3H3O6r_4+C3H3O6r_1=C3H3O5r_1+O2+C3H3O5r 1.400E+16 -1.610 1864.245 C3H3O6r_4+C3H3O6r_4=C3H3O5r_1+O2+C3H3O5r_1 1.400E+16 -1.610 1864.245 C3H3O6r_4+C3H5O5r=C3H3O5r_1+O2+C3H5O4r 1.400E+16 -1.610 1864.245 C3H3O6r_4+C3H5O5r_3=C3H3O5r_1+O2+C3H5O4r_2 1.400E+16 -1.610 1864.245 C3H3O6r_4+C3H7O4r=C3H3O5r_1+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H3O6r_4+HOCH2O2=C3H3O5r_1+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H3O6r_4+CH3O4r=C3H3O5r_1+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C3H5O5r+C2H3O4r=C3H5O4r+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H5O5r+C2H3O4r_1=C3H5O4r+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H5O5r+C2H3O5r=C3H5O4r+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H5O5r+C2H3O5r_1=C3H5O4r+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H5O5r+C2H3O5r_2=C3H5O4r+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C3H5O5r+C2H3O5r_3=C3H5O4r+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H5O5r+C2H3O5r_4=C3H5O4r+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H5O5r+CH3OCH2O2=C3H5O4r+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H5O5r+C2H5O4r=C3H5O4r+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H5O5r+C2H5O4r_1=C3H5O4r+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H5O5r+C2H5O4r_4=C3H5O4r+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H5O5r+C2HO5r=C3H5O4r+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H5O5r+C3H5O5r=C3H5O4r+O2+C3H5O4r 1.400E+16 -1.610 1864.245 C3H5O5r+C3H5O5r_3=C3H5O4r+O2+C3H5O4r_3 1.400E+16 -1.610 1864.245 C3H5O5r+C3H7O4r=C3H5O4r+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H5O5r+HOCH2O2=C3H5O4r+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H5O5r+CH3O4r=C3H5O4r+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C3H5O5r_12+C2H3O4r=C3H5O4r_6+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H5O5r_12+C2H3O4r_1=C3H5O4r_6+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H5O5r_12+C2H3O5r=C3H5O4r_6+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H5O5r_12+C2H3O5r_1=C3H5O4r_6+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C3H5O5r_12+C2H3O5r_2=C3H5O4r_6+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H5O5r_12+C2H3O5r_3=C3H5O4r_6+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H5O5r_12+C2H3O5r_4=C3H5O4r_6+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H5O5r_12+CH3OCH2O2=C3H5O4r_6+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H5O5r_12+C2H5O4r=C3H5O4r_6+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H5O5r_12+C2H5O4r_1=C3H5O4r_6+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H5O5r_12+C2H5O4r_4=C3H5O4r_6+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H5O5r_12+C2HO5r=C3H5O4r_6+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H5O5r_12+C3H3O6r=C3H5O4r_6+O2+C3H3O5r_3 1.400E+16 -1.610 1864.245 C3H5O5r_12+C3H3O6r_12=C3H5O4r_6+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C3H5O5r_12+C3H3O6r_13=C3H5O4r_6+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C3H5O5r_12+C3H3O6r_16=C3H5O4r_6+O2+C3H3O5r_6 1.400E+16 -1.610 1864.245 C3H5O5r_12+C3H3O6r_19=C3H5O4r_6+O2+C3H3O5r_7 1.400E+16 -1.610 1864.245 C3H5O5r_12+C3H3O6r_1=C3H5O4r_6+O2+C3H3O5r 1.400E+16 -1.610 1864.245 C3H5O5r_12+C3H3O6r_4=C3H5O4r_6+O2+C3H3O5r_1 1.400E+16 -1.610 1864.245 C3H5O5r_12+C3H5O5r=C3H5O4r_6+O2+C3H5O4r 1.400E+16 -1.610 1864.245 C3H5O5r_12+C3H5O5r_12=C3H5O4r_6+O2+C3H5O4r_6 1.400E+16 -1.610 1864.245 C3H5O5r_12+C3H5O5r_2=C3H5O4r_6+O2+C3H5O4r_1 1.400E+16 -1.610 1864.245 C3H5O5r_12+C3H5O5r_3=C3H5O4r_6+O2+C3H5O4r_2 1.400E+16 -1.610 1864.245 C3H5O5r_12+C3H5O5r_6=C3H5O4r_6+O2+C3H5O4r_4 1.400E+16 -1.610 1864.245 C3H5O5r_12+C3H5O5r_7=C3H5O4r_6+O2+C3H5O4r_5 1.400E+16 -1.610 1864.245 C3H5O5r_12+C3H7O4r=C3H5O4r_6+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H5O5r_12+C3H7O4r_3=C3H5O4r_6+O2+C3H7O3r_1 1.400E+16 -1.610 1864.245 C3H5O5r_12+HOCH2O2=C3H5O4r_6+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H5O5r_12+CH3O4r=C3H5O4r_6+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C3H5O5r_15+C2H3O4r=C3H5O4r_7+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H5O5r_15+C2H3O4r_1=C3H5O4r_7+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H5O5r_15+C2H3O5r=C3H5O4r_7+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H5O5r_15+C2H3O5r_1=C3H5O4r_7+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H5O5r_15+C2H3O5r_2=C3H5O4r_7+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C3H5O5r_15+C2H3O5r_3=C3H5O4r_7+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H5O5r_15+C2H3O5r_4=C3H5O4r_7+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H5O5r_15+CH3OCH2O2=C3H5O4r_7+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H5O5r_15+C2H5O4r=C3H5O4r_7+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H5O5r_15+C2H5O4r_1=C3H5O4r_7+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H5O5r_15+C2H5O4r_4=C3H5O4r_7+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H5O5r_15+C2HO5r=C3H5O4r_7+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H3O6r=C3H5O4r_7+O2+C3H3O5r_3 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H3O6r_12=C3H5O4r_7+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H3O6r_13=C3H5O4r_7+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H3O6r_16=C3H5O4r_7+O2+C3H3O5r_6 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H3O6r_19=C3H5O4r_7+O2+C3H3O5r_7 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H3O6r_1=C3H5O4r_7+O2+C3H3O5r 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H3O6r_4=C3H5O4r_7+O2+C3H3O5r_1 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H5O5r=C3H5O4r_7+O2+C3H5O4r 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H5O5r_12=C3H5O4r_7+O2+C3H5O4r_6 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H5O5r_15=C3H5O4r_7+O2+C3H5O4r_7 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H5O5r_2=C3H5O4r_7+O2+C3H5O4r_1 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H5O5r_3=C3H5O4r_7+O2+C3H5O4r_3 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H5O5r_6=C3H5O4r_7+O2+C3H5O4r_4 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H5O5r_7=C3H5O4r_7+O2+C3H5O4r_5 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H7O4r=C3H5O4r_7+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H5O5r_15+C3H7O4r_3=C3H5O4r_7+O2+C3H7O3r_1 1.400E+16 -1.610 1864.245 C3H5O5r_15+HOCH2O2=C3H5O4r_7+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H5O5r_15+CH3O4r=C3H5O4r_7+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C3H5O5r_2+C2H3O4r=C3H5O4r_1+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H5O5r_2+C2H3O4r_1=C3H5O4r_1+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H5O5r_2+C2H3O5r=C3H5O4r_1+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H5O5r_2+C2H3O5r_1=C3H5O4r_1+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H5O5r_2+C2H3O5r_2=C3H5O4r_1+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C3H5O5r_2+C2H3O5r_3=C3H5O4r_1+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H5O5r_2+C2H3O5r_4=C3H5O4r_1+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H5O5r_2+CH3OCH2O2=C3H5O4r_1+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H5O5r_2+C2H5O4r=C3H5O4r_1+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H5O5r_2+C2H5O4r_1=C3H5O4r_1+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H5O5r_2+C2H5O4r_4=C3H5O4r_1+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H5O5r_2+C2HO5r=C3H5O4r_1+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H5O5r_2+C3H3O6r=C3H5O4r_1+O2+C3H3O5r_3 1.400E+16 -1.610 1864.245 C3H5O5r_2+C3H3O6r_1=C3H5O4r_1+O2+C3H3O5r 1.400E+16 -1.610 1864.245 C3H5O5r_2+C3H3O6r_4=C3H5O4r_1+O2+C3H3O5r_1 1.400E+16 -1.610 1864.245 C3H5O5r_2+C3H5O5r=C3H5O4r_1+O2+C3H5O4r 1.400E+16 -1.610 1864.245 C3H5O5r_2+C3H5O5r_2=C3H5O4r_1+O2+C3H5O4r_1 1.400E+16 -1.610 1864.245 C3H5O5r_2+C3H7O4r=C3H5O4r_1+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H5O5r_2+HOCH2O2=C3H5O4r_1+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H5O5r_2+CH3O4r=C3H5O4r_1+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C3H5O5r_3+C2H3O4r=C3H5O4r_3+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H5O5r_3+C2H3O4r_1=C3H5O4r_3+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H5O5r_3+C2H3O5r=C3H5O4r_3+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H5O5r_3+C2H3O5r_1=C3H5O4r_2+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C3H5O5r_3+C2H3O5r_2=C3H5O4r_3+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H5O5r_3+C2H3O5r_3=C3H5O4r_2+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H5O5r_3+C2H3O5r_4=C3H5O4r_3+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H5O5r_3+CH3OCH2O2=C3H5O4r_2+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H5O5r_3+C2H5O4r=C3H5O4r_2+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H5O5r_3+C2H5O4r_1=C3H5O4r_3+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H5O5r_3+C2H5O4r_4=C3H5O4r_3+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H5O5r_3+C2HO5r=C3H5O4r_2+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H5O5r_3+C3H3O6r=C3H5O4r_3+O2+C3H3O5r_3 1.400E+16 -1.610 1864.245 C3H5O5r_3+C3H3O6r_12=C3H5O4r_2+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C3H5O5r_3+C3H3O6r_13=C3H5O4r_2+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C3H5O5r_3+C3H3O6r_16=C3H5O4r_3+O2+C3H3O5r_6 1.400E+16 -1.610 1864.245 C3H5O5r_3+C3H3O6r_1=C3H5O4r_3+O2+C3H3O5r 1.400E+16 -1.610 1864.245 C3H5O5r_3+C3H3O6r_4=C3H5O4r_3+O2+C3H3O5r_1 1.400E+16 -1.610 1864.245 C3H5O5r_3+C3H5O5r=C3H5O4r_2+O2+C3H5O4r 1.400E+16 -1.610 1864.245 C3H5O5r_3+C3H5O5r_12=C3H5O4r_3+O2+C3H5O4r_6 1.400E+16 -1.610 1864.245 C3H5O5r_3+C3H5O5r_15=C3H5O4r_2+O2+C3H5O4r_7 1.400E+16 -1.610 1864.245 C3H5O5r_3+C3H5O5r_2=C3H5O4r_2+O2+C3H5O4r_1 1.400E+16 -1.610 1864.245 C3H5O5r_3+C3H5O5r_3=C3H5O4r_3+O2+C3H5O4r_2 1.400E+16 -1.610 1864.245 C3H5O5r_3+C3H5O5r_7=C3H5O4r_3+O2+C3H5O4r_5 1.400E+16 -1.610 1864.245 C3H5O5r_3+C3H7O4r=C3H5O4r_2+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H5O5r_3+HOCH2O2=C3H5O4r_3+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H5O5r_3+CH3O4r=C3H5O4r_2+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C3H5O5r_6+C2H3O4r=C3H5O4r_4+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H5O5r_6+C2H3O4r_1=C3H5O4r_4+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H5O5r_6+C2H3O5r=C3H5O4r_4+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H5O5r_6+C2H3O5r_1=C3H5O4r_4+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C3H5O5r_6+C2H3O5r_2=C3H5O4r_4+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H5O5r_6+C2H3O5r_3=C3H5O4r_4+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H5O5r_6+C2H3O5r_4=C3H5O4r_4+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H5O5r_6+CH3OCH2O2=C3H5O4r_4+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H5O5r_6+C2H5O4r=C3H5O4r_4+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H5O5r_6+C2H5O4r_1=C3H5O4r_4+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H5O5r_6+C2H5O4r_4=C3H5O4r_4+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H5O5r_6+C2HO5r=C3H5O4r_4+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H5O5r_6+C3H3O6r=C3H5O4r_4+O2+C3H3O5r_3 1.400E+16 -1.610 1864.245 C3H5O5r_6+C3H3O6r_12=C3H5O4r_4+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C3H5O5r_6+C3H3O6r_13=C3H5O4r_4+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C3H5O5r_6+C3H3O6r_16=C3H5O4r_4+O2+C3H3O5r_6 1.400E+16 -1.610 1864.245 C3H5O5r_6+C3H3O6r_19=C3H5O4r_4+O2+C3H3O5r_7 1.400E+16 -1.610 1864.245 C3H5O5r_6+C3H3O6r_1=C3H5O4r_4+O2+C3H3O5r 1.400E+16 -1.610 1864.245 C3H5O5r_6+C3H3O6r_4=C3H5O4r_4+O2+C3H3O5r_1 1.400E+16 -1.610 1864.245 C3H5O5r_6+C3H5O5r=C3H5O4r_4+O2+C3H5O4r 1.400E+16 -1.610 1864.245 C3H5O5r_6+C3H5O5r_2=C3H5O4r_4+O2+C3H5O4r_1 1.400E+16 -1.610 1864.245 C3H5O5r_6+C3H5O5r_3=C3H5O4r_4+O2+C3H5O4r_2 1.400E+16 -1.610 1864.245 C3H5O5r_6+C3H5O5r_6=C3H5O4r_4+O2+C3H5O4r_4 1.400E+16 -1.610 1864.245 C3H5O5r_6+C3H5O5r_7=C3H5O4r_4+O2+C3H5O4r_5 1.400E+16 -1.610 1864.245 C3H5O5r_6+C3H7O4r=C3H5O4r_4+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H5O5r_6+HOCH2O2=C3H5O4r_4+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H5O5r_6+CH3O4r=C3H5O4r_4+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C3H5O5r_7+C2H3O4r=C3H5O4r_5+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H5O5r_7+C2H3O4r_1=C3H5O4r_5+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H5O5r_7+C2H3O5r=C3H5O4r_5+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H5O5r_7+C2H3O5r_1=C3H5O4r_5+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C3H5O5r_7+C2H3O5r_2=C3H5O4r_5+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C3H5O5r_7+C2H3O5r_3=C3H5O4r_5+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H5O5r_7+C2H3O5r_4=C3H5O4r_5+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H5O5r_7+CH3OCH2O2=C3H5O4r_5+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H5O5r_7+C2H5O4r=C3H5O4r_5+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H5O5r_7+C2H5O4r_1=C3H5O4r_5+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H5O5r_7+C2H5O4r_4=C3H5O4r_5+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H5O5r_7+C2HO5r=C3H5O4r_5+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H5O5r_7+C3H3O6r=C3H5O4r_5+O2+C3H3O5r_3 1.400E+16 -1.610 1864.245 C3H5O5r_7+C3H3O6r_12=C3H5O4r_5+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C3H5O5r_7+C3H3O6r_13=C3H5O4r_5+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C3H5O5r_7+C3H3O6r_16=C3H5O4r_5+O2+C3H3O5r_6 1.400E+16 -1.610 1864.245 C3H5O5r_7+C3H3O6r_19=C3H5O4r_5+O2+C3H3O5r_7 1.400E+16 -1.610 1864.245 C3H5O5r_7+C3H3O6r_1=C3H5O4r_5+O2+C3H3O5r 1.400E+16 -1.610 1864.245 C3H5O5r_7+C3H3O6r_4=C3H5O4r_5+O2+C3H3O5r_1 1.400E+16 -1.610 1864.245 C3H5O5r_7+C3H5O5r=C3H5O4r_5+O2+C3H5O4r 1.400E+16 -1.610 1864.245 C3H5O5r_7+C3H5O5r_2=C3H5O4r_5+O2+C3H5O4r_1 1.400E+16 -1.610 1864.245 C3H5O5r_7+C3H5O5r_3=C3H5O4r_5+O2+C3H5O4r_2 1.400E+16 -1.610 1864.245 C3H5O5r_7+C3H5O5r_7=C3H5O4r_5+O2+C3H5O4r_5 1.400E+16 -1.610 1864.245 C3H5O5r_7+C3H7O4r=C3H5O4r_5+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H5O5r_7+HOCH2O2=C3H5O4r_5+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H5O5r_7+CH3O4r=C3H5O4r_5+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C3H7O4r+C2H3O4r=C3H7O3r+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H7O4r+C2H3O4r_1=C3H7O3r+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H7O4r+C2H3O5r=C3H7O3r+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H7O4r+C2H3O5r_1=C3H7O3r+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C3H7O4r+C2H3O5r_2=C3H7O3r+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H7O4r+C2H3O5r_3=C3H7O3r+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H7O4r+C2H3O5r_4=C3H7O3r+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H7O4r+CH3OCH2O2=C3H7O3r+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H7O4r+C2H5O4r=C3H7O3r+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H7O4r+C2H5O4r_1=C3H7O3r+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H7O4r+C2H5O4r_4=C3H7O3r+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H7O4r+C2HO5r=C3H7O3r+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H7O4r+C3H5O5r_3=C3H7O3r+O2+C3H5O4r_3 1.400E+16 -1.610 1864.245 C3H7O4r+C3H7O4r=C3H7O3r+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H7O4r+HOCH2O2=C3H7O3r+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H7O4r+CH3O4r=C3H7O3r+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 C3H7O4r_3+C2H3O4r=C3H7O3r_1+O2+C2H3O3r 1.400E+16 -1.610 1864.245 C3H7O4r_3+C2H3O4r_1=C3H7O3r_1+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 C3H7O4r_3+C2H3O5r=C3H7O3r_1+O2+C2H3O4r_5 1.400E+16 -1.610 1864.245 C3H7O4r_3+C2H3O5r_1=C3H7O3r_1+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 C3H7O4r_3+C2H3O5r_2=C3H7O3r_1+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 C3H7O4r_3+C2H3O5r_3=C3H7O3r_1+O2+C2H3O4r_8 1.400E+16 -1.610 1864.245 C3H7O4r_3+C2H3O5r_4=C3H7O3r_1+O2+C2H3O4r_9 1.400E+16 -1.610 1864.245 C3H7O4r_3+CH3OCH2O2=C3H7O3r_1+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 C3H7O4r_3+C2H5O4r=C3H7O3r_1+O2+C2H5O3r_3 1.400E+16 -1.610 1864.245 C3H7O4r_3+C2H5O4r_1=C3H7O3r_1+O2+C2H5O3r_2 1.400E+16 -1.610 1864.245 C3H7O4r_3+C2H5O4r_4=C3H7O3r_1+O2+C2H5O3r_4 1.400E+16 -1.610 1864.245 C3H7O4r_3+C2HO5r=C3H7O3r_1+O2+C2HO4r 1.400E+16 -1.610 1864.245 C3H7O4r_3+C3H3O6r=C3H7O3r_1+O2+C3H3O5r_3 1.400E+16 -1.610 1864.245 C3H7O4r_3+C3H3O6r_12=C3H7O3r_1+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 C3H7O4r_3+C3H3O6r_13=C3H7O3r_1+O2+C3H3O5r_5 1.400E+16 -1.610 1864.245 C3H7O4r_3+C3H3O6r_16=C3H7O3r_1+O2+C3H3O5r_6 1.400E+16 -1.610 1864.245 C3H7O4r_3+C3H3O6r_19=C3H7O3r_1+O2+C3H3O5r_7 1.400E+16 -1.610 1864.245 C3H7O4r_3+C3H3O6r_1=C3H7O3r_1+O2+C3H3O5r 1.400E+16 -1.610 1864.245 C3H7O4r_3+C3H3O6r_4=C3H7O3r_1+O2+C3H3O5r_1 1.400E+16 -1.610 1864.245 C3H7O4r_3+C3H5O5r=C3H7O3r_1+O2+C3H5O4r 1.400E+16 -1.610 1864.245 C3H7O4r_3+C3H5O5r_2=C3H7O3r_1+O2+C3H5O4r_1 1.400E+16 -1.610 1864.245 C3H7O4r_3+C3H5O5r_3=C3H7O3r_1+O2+C3H5O4r_2 1.400E+16 -1.610 1864.245 C3H7O4r_3+C3H5O5r_6=C3H7O3r_1+O2+C3H5O4r_4 1.400E+16 -1.610 1864.245 C3H7O4r_3+C3H5O5r_7=C3H7O3r_1+O2+C3H5O4r_5 1.400E+16 -1.610 1864.245 C3H7O4r_3+C3H7O4r=C3H7O3r_1+O2+C3H7O3r 1.400E+16 -1.610 1864.245 C3H7O4r_3+C3H7O4r_3=C3H7O3r_1+O2+C3H7O3r_1 1.400E+16 -1.610 1864.245 C3H7O4r_3+HOCH2O2=C3H7O3r_1+O2+HOCH2O 1.400E+16 -1.610 1864.245 C3H7O4r_3+CH3O4r=C3H7O3r_1+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 CH3O2+C2H3O5r_1=CH3O+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 CH3O2+C3H3O6r_13=CH3O+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 CH3O2+C3H5O5r_3=CH3O+O2+C3H5O4r_3 1.400E+16 -1.610 1864.245 HOCH2O2+C2H3O4r=HOCH2O+O2+C2H3O3r 1.400E+16 -1.610 1864.245 HOCH2O2+C2H3O4r_1=HOCH2O+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 HOCH2O2+C2H3O5r_2=HOCH2O+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 HOCH2O2+CH3OCH2O2=HOCH2O+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 HOCH2O2+C2HO5r=HOCH2O+O2+C2HO4r 1.400E+16 -1.610 1864.245 HOCH2O2+C3H3O6r_13=HOCH2O+O2+C3H3O5r_4 1.400E+16 -1.610 1864.245 HOCH2O2+HOCH2O2=HOCH2O+O2+HOCH2O 1.400E+16 -1.610 1864.245 HOCH2O2+CH3O4r=HOCH2O+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 CH3O4r+C2H3O4r=CH3O3r_2+O2+C2H3O3r 1.400E+16 -1.610 1864.245 CH3O4r+C2H3O4r_1=CH3O3r_2+O2+OCH2OCHO 1.400E+16 -1.610 1864.245 CH3O4r+C2H3O5r_1=CH3O3r_2+O2+C2H3O4r_7 1.400E+16 -1.610 1864.245 CH3O4r+C2H3O5r_2=CH3O3r_2+O2+C2H3O4r_6 1.400E+16 -1.610 1864.245 CH3O4r+CH3OCH2O2=CH3O3r_2+O2+CH3OCH2O 1.400E+16 -1.610 1864.245 CH3O4r+C2HO5r=CH3O3r_2+O2+C2HO4r 1.400E+16 -1.610 1864.245 CH3O4r+CH3O4r=CH3O3r_2+O2+CH3O3r_2 1.400E+16 -1.610 1864.245 !! Reaction Family: Decomposition of hydroperoxides ROOH-> RO+OH C2H2O5_1=C2HO4r+OH 1.500E+16 0.000 42853.726 C2H4O4_1=C2H3O3r+OH 1.500E+16 0.000 42853.726 C2H4O5=C2H3O4r_5+OH 1.500E+16 0.000 42853.726 C2H4O5_1=C2H3O4r_8+OH 1.500E+16 0.000 42853.726 C2H4O5_2=C2H3O4r_9+OH 1.500E+16 0.000 42853.726 C2H4O5_3=C2H3O4r_7+OH 1.500E+16 0.000 42853.726 C2H4O5_4=C2H3O4r_7+OH 1.500E+16 0.000 42853.726 C2H6O4=C2H5O3r_4+OH 1.500E+16 0.000 42853.726 C2H6O4_1=C2H5O3r_3+OH 1.500E+16 0.000 42853.726 C2H6O4_2=C2H5O3r_2+OH 1.500E+16 0.000 42853.726 C3H4O6=C3H3O5r_3+OH 1.500E+16 0.000 42853.726 C3H4O6_1=C3H3O5r_5+OH 1.500E+16 0.000 42853.726 C3H4O6_2=C3H3O5r+OH 1.500E+16 0.000 42853.726 C3H4O6_3=C3H3O5r_1+OH 1.500E+16 0.000 42853.726 C3H4O6_4=C3H3O5r_7+OH 1.500E+16 0.000 42853.726 C3H4O6_5=C3H3O5r_6+OH 1.500E+16 0.000 42853.726 C3H4O6_6=C3H3O5r_5+OH 1.500E+16 0.000 42853.726 C3H6O5_4=C3H5O4r_6+OH 1.500E+16 0.000 42853.726 C3H6O5_5=C3H5O4r_1+OH 1.500E+16 0.000 42853.726 C3H6O5_6=C3H5O4r_3+OH 1.500E+16 0.000 42853.726 C3H6O5_7=C3H5O4r_2+OH 1.500E+16 0.000 42853.726 C3H8O4=C3H7O3r_1+OH 1.500E+16 0.000 42853.726 C3H8O4_1=C3H7O3r+OH 1.500E+16 0.000 42853.726 CH2O4=CHO3r_1+OH 1.500E+16 0.000 42853.726 CH4O4=CH3O3r_2+OH 1.500E+16 0.000 42853.726 !! Reaction Family: Q*OOH->cyclic ether+OH* 4-ring Cai et al. 2016 C2H3O5r_5=C2H2O4_1+OH 6.130E+15 -1.080 18451.242 C2H3O5r_6=C2H2O4_1+OH 6.130E+15 -1.080 18451.242 C2H5O4r_2=C2H4O3_1+OH 6.130E+15 -1.080 18451.242 C2H5O4r_3=C2H4O3_1+OH 6.130E+15 -1.080 18451.242 C3H3O6r_17=C3H2O5_1+OH 6.130E+15 -1.080 18451.242 C3H3O6r_18=C3H2O5_1+OH 6.130E+15 -1.080 18451.242 C3H5O5r_10=C3H4O4_2+OH 6.130E+15 -1.080 18451.242 C3H5O5r_11=C3H4O4_3+OH 6.130E+15 -1.080 18451.242 C3H5O5r_16=C3H4O4_2+OH 6.130E+15 -1.080 18451.242 C3H5O5r_8=C3H4O4_2+OH 6.130E+15 -1.080 18451.242 C3H5O5r_9=C3H4O4_3+OH 6.130E+15 -1.080 18451.242 !! Reaction Family: Q*OOH->cyclic ether+OH* 6-ring Cai et al. C3H3O6r_5=C3H2O5+OH 9.620E+07 0.690 10970.363 C3H5O5r_17=C3H4O4_1+OH 9.620E+07 0.690 10970.363 C3H5O5r_1=C3H4O4_1+OH 9.620E+07 0.690 10970.363 END