AR 0 136.0 3.33 0.00 0.00 0.0 HE 0 10.2 2.57 0.00 0.00 0.0 N2 1 97.5 3.62 0.00 1.76 4.0 H 0 145.0 2.05 0.00 0.00 0.0 O 0 80.0 2.75 0.00 0.00 0.0 OH 1 80.0 2.75 0.00 0.00 0.0 H2 1 38.0 2.92 0.00 0.79 280.0 O2 1 107.0 3.46 0.00 1.60 3.8 HO2 2 107.0 3.46 0.00 0.00 1.0 H2O2 2 107.0 3.46 0.00 0.00 3.8 CO 1 98.1 3.65 0.00 1.95 1.8 CO2 1 244.0 3.76 0.00 2.65 2.1 HCO 2 498.0 3.59 0.00 0.00 0.0 OH* 1 80.0 2.75 0.00 0.00 0.0 ! = OH H2O 2 572.0 2.6 1.84 0.00 4.0 CH2O 2 498.0 3.59 0.0 0.00 2.0 CH 1 80.0 2.75 0.0 0.00 0.0 C 0 71.4 3.3 0.0 0.00 0.0 CH2-3 1 144.0 3.8 0.0 0.00 0.0 CH2-1 1 144.0 3.8 0.0 0.00 0.0 C2H2 1 209.0 4.1 0.0 0.00 2.5 CH3 1 144.0 3.8 0.0 0.00 0.0 CH4 2 141.0 3.75 0.0 2.60 13.0 HOCHO 2 436.0 3.97 0.0 0.00 2.0 ! = CH2CO CH2OH 2 417.0 3.69 1.7 0.00 2.0 ! OCHO 2 485.4 4.41 0.0 0.00 1.0 ! Zhao 2008 CH3O 2 417.0 3.69 1.7 0.00 2.0 C2H4 2 281.0 3.97 0.0 0.00 1.5 CH2CO 2 436.0 3.97 0.0 0.00 2.0 C2H6 2 252.0 4.3 0.0 0.00 1.5 CH3OH 2 482.0 3.63 0.0 0.00 1.0 CH3O2 2 482.0 3.63 0.0 0.00 1.0 CH3O2H 2 482.0 3.63 0.0 0.00 1.0 C2H3 2 209.0 4.1 0.0 0.00 1.0 C2H5 2 252.0 4.3 0.0 0.00 1.5 C2H5OH 2 225.0 4.16 0.0 0.00 1.0 C2H5O 2 225.0 4.16 0.0 0.00 1.0 CH3CHO 2 436.0 3.97 0.0 0.00 2.0 CH3CO 2 436.0 3.97 0.0 0.00 2.0 CH2O2H 2 417.0 3.69 1.7 0.00 2.0 ! Hashemi et al.; Combustion and Flame 182 (2017) 150–166 C2H 1 209.0 4.1 0.0 0.00 2.5 C2 1 97.53 3.621 0.0 1.76 4.0 C2O 1 232.0 3.83 0.0 0.00 1.0 HCCO 2 150.0 2.5 0.0 0.00 1.0 H2CC 1 209.0 4.1 0.0 0.00 2.5 ! Aramco 2.0 C3H3 2 252.0 4.76 0.0 0.00 1.0 C4H2 1 357.0 5.18 0.0 0.00 1.0 C3H5 2 260.0 4.85 0.0 0.00 1.0 CH2CHO 2 436.0 3.97 0.0 0.00 2.0 C2H3OO 2 436.0 3.97 0.0 0.00 2.0 ! Aramco 2.0 HCCOH 2 436.0 3.97 0.0 0.00 2.0 C4H4 2 357.0 5.18 0.0 0.00 1.0 C2H2OH 2 224.7 4.162 0.0 0.00 1.0 ! Togbe 2011 C2H3CHO 2 428.8 4.958 2.9 0.00 1.0 ! Burke 2014; Combustion and Flame 161 (2014) 2765–2784 C3H4O 2 411.0 4.82 0.0 0.00 1.0 CHCHO 2 436.0 3.97 0.0 0.00 2.0 ! Aramco 2.0 CHOCHO 1 440.2 4.01 0.0 0.00 2.0 ! Aramco 2.0 CHOCO 2 436.0 3.97 0.0 0.00 2.0 ! Togbe 2011 CH3CO2 2 436.0 3.97 0.0 0.00 2.0 CH3CO3 2 436.0 3.97 0.0 0.00 2.0 CH3CO3H 2 436.0 3.97 0.0 0.00 2.0 C3H6 2 267.0 4.98 0.0 0.00 1.0 C3H8 2 267.0 4.98 0.0 0.00 1.0 I-C3H7 2 267.0 4.98 0.0 0.00 1.0 N-C3H7 2 267.0 4.98 0.0 0.00 1.0 C3H4 1 252.0 4.76 0.0 0.00 1.0 C3H4P 1 252.0 4.76 0.0 0.00 1.0 CH2CHOH 2 436.0 3.97 0.0 0.00 2.0 CH3CHOH 2 225.0 4.16 0.0 0.00 1.0 CH2CH2OH 2 225.0 4.16 0.0 0.00 1.0 C2H5O2 2 252.0 4.3 0.0 0.00 1.5 C2H4O1-2 2 436.0 3.97 0.0 0.00 2.0 ! C2H5O2H 2 471.0 4.41 0.0 0.00 1.5 ! C2H5CHO 2 435.0 4.66 2.7 0.00 1.0 ! C2H5CO 2 425.0 4.82 0.0 0.00 1.0 ! C2H4O2H 2 471.0 4.41 0.0 0.00 1.5 ! C2H3O1-2 2 436.0 3.97 0.0 0.00 2.0 ! Burke 2014; Combustion and Flame 161 (2014) 2765–2784 CH3OCH3-DME 2 395.0 4.037 1.3 0.00 1.0 ! Zhao 2008 CH3OCH2 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 CH3OCH2O2 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 CH3OCH2O2H 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 CH3OCH2O 2 470.9 4.862 0.0 0.00 1.0 ! Zhao 2008 CH3OCHO 2 406.5 4.709 0.0 0.00 1.0 ! Zhao 2008 CH2OCHO 2 395.0 4.037 1.3 0.00 1.0 ! Zhao 2008 CH3OCO 2 406.5 4.709 0.0 0.00 1.0 ! Zhao 2008 CH2OCH2O2H 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 O2CH2OCH2O2H 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 HO2CH2OCHO 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 OCH2OCHO 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 HOCH2OCO 2 329.4 4.624 0.0 0.00 1.0 ! Zhao 2008 HOCH2O 2 481.8 3.626 0.0 0.00 1.0 ! Zhao 2008 CH* 1 80.00 2.75 0.0 0.00 0.0 ! = CH N 0 71.40 3.298 0.0 0.00 0.0 ! NH 1 80.00 2.650 0.00 0.000 4.00 ! Lamoureux et al. 2016 HNO 2 116.70 3.492 0.00 0.000 1.00 ! Lamoureux et al. 2016 HON 2 116.70 3.492 0.00 0.000 1.00 ! Lamoureux et al. 2016 HONO 2 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 NH2 2 80.00 2.650 0.00 2.260 4.00 ! Lamoureux et al. 2016 H2NO 2 116.70 3.492 0.00 0.000 1.00 ! Lamoureux et al. 2016 HNOH 2 116.70 3.492 0.00 0.000 1.00 ! Lamoureux et al. 2016 NH3 2 481.00 2.920 1.47 0.000 10.0 ! Lamoureux et al. 2016 NNH 2 71.40 3.798 0.00 0.000 1.00 ! Lamoureux et al. 2016 HNNO 2 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 N2H2 2 71.40 3.798 0.00 0.000 1.00 ! Lamoureux et al. 2016 N2H3 2 200.00 3.900 0.00 0.000 1.00 ! Coppens et al. 2007 N2H4 2 205.00 4.230 0.00 4.260 1.50 ! Coppens et al. 2007 H2NN 2 71.40 3.798 0.00 0.000 1.00 ! = N2H2 N2O 1 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 NO 1 97.53 3.621 0.00 1.760 4.00 ! Lamoureux et al. 2016 NO2 2 200.00 3.500 0.00 0.000 1.00 ! Lamoureux et al. 2016 HCN 1 569.00 3.630 0.00 0.000 1.00 ! Lamoureux et al. 2016 HCNO 2 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 HOCN 2 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 HNCO 2 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 HCNN 2 150.00 2.500 0.00 0.000 1.00 ! Lamoureux et al. 2016 H2CN 1 569.00 3.630 0.00 0.000 1.00 ! Lamoureux et al. 2016 CN 1 75.00 3.856 0.00 0.000 1.00 ! Lamoureux et al. 2016 NCO 1 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 CN2 1 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 NCN 1 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 CNN 1 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 NCNO 2 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 HCNN 2 150.00 2.500 0.00 0.000 1.00 ! Lamoureux et al. 2016 C2N2 1 349.00 4.361 0.00 0.000 1.00 ! Lamoureux et al. 2016 NCCN 1 349.00 4.361 0.00 0.000 1.00 ! Lamoureux et al. 2016 HNC 1 569.00 3.630 0.00 0.000 1.00 ! Lamoureux et al. 2016 HNCN 1 232.40 3.828 0.00 0.000 1.00 ! Lamoureux et al. 2016 CN 1 75.00 3.856 0.00 0.000 1.00 ! Lamoureux et al. 2016 HNOH 2 116.70 3.492 0.00 0.000 1.00 ! Coppens et al. 2007 NH2OH 2 116.70 3.492 0.00 0.000 1.00 ! Coppens et al. 2007 HNO2 2 232.40 3.828 0.00 0.000 1.00 ! = HONO HONO2 2 232.40 3.828 0.00 0.000 1.00 ! = HONO2 NO3 2 378.40 4.175 0.00 0.000 1.00 ! Coppens et al. 2007 N2O4 2 202.60 5.164 0.00 0.000 1.00 ! Coppens et al. 2007 N2O3 2 202.60 5.164 0.00 0.000 1.00 ! Coppens et al. 2007 HNO3 2 378.40 4.175 0.00 0.000 1.00 ! Coppens et al. 2007 CH3NO 2 232.4 3.828 0.00 0.000 1.00 ! =HCNO CH3ONO 2 232.4 3.828 0.00 0.000 1.00 ! CH3NO2 2 232.4 3.828 0.00 0.000 1.00 ! CH3ONO2 2 232.4 3.828 0.00 0.000 1.00 ! CH2NO2 2 232.4 3.828 0.00 0.000 1.00 ! CH2NO 2 150.0 2.500 0.00 0.000 1.00 ! CH3NH2 2 232.400 3.828 0.00 0.000 1.00 !refered to NCNO ! Brequigny et al. 2015; PROCI 35 (2015) 703–710 CH3NH 2 232.400 3.828 0.00 0.000 1.00 !refered to NCNO ! Brequigny et al. 2015; PROCI 35 (2015) 703–710 CH2NH2 2 232.400 3.828 0.00 0.000 1.00 !refered to NCNO ! Brequigny et al. 2015; PROCI 35 (2015) 703–710 CH2NH 2 232.400 3.828 0.00 0.000 1.00 !refered to NCNO ! Brequigny et al. 2015; PROCI 35 (2015) 703–710 CH2CN 1 232.400 3.828 0.00 0.000 1.00 ! =C2N OIS ! Brequigny et al. 2015; PROCI 35 (2015) 703–710 CH3CN 2 232.400 3.828 0.00 0.000 1.00 !refered to NCNO ! Brequigny et al. 2015; PROCI 35 (2015) 703–710 HCNH 2 232.400 3.828 0.00 0.000 1.00 !=HCNO ! Brequigny et al. 2015; PROCI 35 (2015) 703–710