646

TABLE A3 Thermochemical Data for Species Included in Reaction List of Appendix C

Ar Argon 0.00 154.85 20.79 20.79 20.79 20.79 20.79 20.79 20.79

H Hydrogen Table A2

O Oxygen Table A2

OH Hydroxyl 37.24 Table A2

H2 Hydrogen Table A2

O2 Oxygen Table A2

H2O Water Table A2

HO2 Hydroperoxyl 12.55 Table A2

H2O2 Hydrogen 136.11 232.99 43.22 48.45 52.55 55.69 59.83 62.84 68.33
peroxide

CO Carbon monoxide Table A2

CO2 Carbon dioxide Table A2

HCO Formyl 43.51 224.65 34.63 36.53 38.73 40.97 44.96 48.06 52.65

CH2O Formaldehyde 115.90 218.95 35.46 39.26 43.77 48.22 55.98 62.00 71.18

Combustion
HCOOH Formic acid 387.50 248.01 44.82 53.52 60.85 67.03 76.76 83.96 94.80

CH2OH Hydroxy methyl 17.78 246.35 47.38 54.14 60.16 65.37 73.37 78.62 87.65
 Appendix A: Thermochemical Data and Conversion Factors
CH3O Methoxy 16.30 228.48 37.99 45.13 52.02 58.47 69.58 77.81 90.00

CH3OH Methanol 201.10 239.65 43.98 51.90 59.64 66.98 79.80 89.53 104.66

C Carbon Table A2

CH Methylidyne 594.17 182.93 29.09 29.30 29.49 29.77 30.82 32.56 36.61

CH2 Methylene 386.99 195.48 34.50 35.78 37.15 38.60 41.57 44.21 49.11
1
CH2 Singlet methylene 424.72 188.71 33.79 34.72 36.00 37.58 41.20 44.38 49.48

CH3 Methyl 145.69 194.17 38.75 42.04 45.25 48.29 53.93 58.95 68.16

CH4 Methane Table A2

C2H Ethynyl 564.90 207.37 37.25 40.29 42.78 44.87 48.27 50.94 55.69

C2H2 Acetylene Table A2

C2H3 Vinyl 286.25 231.52 40.03 46.81 53.48 59.88 71.04 78.43 88.97

C2H4 Ethene Table A2

C2H5 Ethyl 117.23 242.64 47.37 56.90 66.73 76.54 94.48 106.71 123.66

C2H6 Ethane 83.86 228.98 52.61 65.66 77.89 89.10 108.05 122.59 144.83

HCCO Ketyl 177.60 254.16 52.93 56.34 59.53 62.44 67.25 70.43 75.24

HCCOH Ethynol 85.49 245.64 55.30 61.84 67.62 72.59 80.10 84.94 93.24

CH2CO Ketene 51.87 241.81 52.01 59.30 65.54 70.76 78.63 84.70 93.89

CH3CO Acetyl 22.60 266.71 51.95 60.40 68.32 75.55 87.60 96.51 109.58

647
(continues)
 648
TABLE A3 (continued)
ΔHf 298 S298 Cp 300 Cp 400 Cp 500 Cp 600 Cp 800 Cp 1000 Cp 1500
Species (kJ/mol) (J/K/mol) (J/K/mol) (J/K/mol) (J/K/mol) (J/K/mol) (J/K/mol) (J/K/mol) (J/K/mol)

CH2CHO Formyl methylene 14.71 258.90 54.31 65.84 75.29 83.06 94.91 103.53 117.06

CH3CHO Acetaldehyde 165.32 263.82 55.43 66.41 76.61 85.84 101.11 112.48 129.17

C2H4O Oxirane 52.64 243.01 48.16 62.40 75.41 86.31 102.97 114.96 133.16

C3H2 Propynylidene 542.29 271.22 62.47 67.36 70.74 73.41 78.33 82.59 88.76

C3H3 Propargyl 347.47 257.28 66.27 74.24 81.48 87.89 98.02 104.62 115.26

C3H4 Allene 199.31 242.45 59.61 70.98 81.41 90.83 106.47 117.98 134.12

pC3H4 Propyne 191.51 246.45 60.73 71.36 81.19 90.14 105.27 116.72 133.03

cC3H4 Cyclo-propene 284.53 242.50 53.39 66.39 78.19 88.71 105.77 117.76 133.50

C3H5 Allyl 161.70 270.91 67.24 81.78 95.04 106.82 125.50 137.60 156.62

CH3CCH2 iso-propenyl 255.62 289.77 64.66 76.89 88.75 99.96 119.25 132.23 151.02

CHCHCH3 Propenyl 270.94 287.65 65.03 77.65 89.70 100.92 119.89 132.54 151.18

C3H6 Propene 20.46 257.40 64.70 80.61 95.10 107.96 128.80 144.44 167.94

iC3H7 iso-propyl 76.15 251.50 75.35 93.09 108.88 122.61 144.30 160.74 185.80

nC3H7 n-propyl 94.56 268.37 75.74 93.16 108.72 122.28 143.81 160.22 185.38

Combustion
C3H8 Propane 103.85 270.18 73.94 94.09 112.40 128.63 154.85 174.60 204.32
 Appendix A: Thermochemical Data and Conversion Factors
N Nitrogen Table A2

N2 Nitrogen Table A2

NO Nitric oxide Table A2

NO2 Nitrogen dioxide Table A2

N2O Nitrous oxide 82.05 219.96 38.70 42.68 45.83 48.39 52.24 54.87 58.41

HNO Nitrosyl hydride 106.26 220.72 34.67 36.77 39.09 41.29 45.04 47.92 52.35

HONO Nitrous acid 76.74 249.42 45.47 51.36 56.12 59.90 65.42 69.24 74.96

NH Imidogen 356.91 181.22 26.16 27.04 27.87 28.64 30.04 31.27 33.75

NH2 Amidogen 129.05 194.99 30.90 33.06 35.10 37.01 40.49 43.54 49.61

NH3 Ammonia Table A2

NNH Diazenyl 249.51 224.50 37.78 39.63 41.34 42.91 45.69 48.01 52.19

N2H2 Diazene 212.97 218.60 36.62 40.94 45.51 49.71 56.68 62.05 70.66

N2H3 Hydrazyl 153.92 228.54 44.33 51.21 57.68 63.46 72.56 79.22 90.24

N2H4 Hydrazine 95.35 238.72 51.02 61.70 70.54 77.56 88.20 96.36 110.32

NO3 Nitrogen trioxide 71.13 252.62 47.11 55.93 62.60 67.38 73.27 76.48 80.01

HNO3 Nitric acid 134.31 266.40 53.53 63.19 70.84 76.77 85.04 90.43 97.98

Cl Chlorine 121.30 165.19 21.85 22.47 22.74 22.78 22.55 22.23 21.65

(continues)

649
 650
TABLE A3 (continued)
ΔHf 298 S298 Cp 300 Cp 400 Cp 500 Cp 600 Cp 800 Cp 1000 Cp 1500
Species (kJ/mol) (J/K/mol) (J/K/mol) (J/K/mol) (J/K/mol) (J/K/mol) (J/K/mol) (J/K/mol) (J/K/mol)

Cl2 Chlorine 0.00 223.08 33.98 35.30 36.06 37.55 37.11 37.44 37.95

HCl Hydrogen chloride 92.31 186.90 29.14 29.18 29.30 29.58 30.49 31.63 34.06

ClO Chlorine oxide 101.22 226.65 31.58 33.23 34.43 35.27 36.30 36.88 37.65

HOCl Hydrochlorous 74.48 236.50 37.34 40.08 42.31 44.05 46.60 48.54 51.98
acid

COCl Carbonyl chloride 16.74 265.97 45.12 47.27 48.91 50.30 52.48 54.00 56.02

O3 Ozone Table A2

S Sulfur Table A2

SO Sulfur oxide Table A2

SO2 Sulfur dioxide Table A2

SO3 Sulfur trioxide Table A2

SH Mercapto 139.33 195.63 32.43 31.71 31.28 31.23 31.84 32.81 34.92

H2S Hydrogen sulfide 20.50 205.76 34.21 35.58 37.19 38.94 42.52 45.79 51.48

HSO Mercapto-oxy 22.59 241.84 37.74 41.55 44.89 47.53 51.13 53.26 55.81

Combustion
 Appendix A: Thermochemical Data and Conversion Factors
HOS Hydroxy sulfur 0.00 239.12 36.44 39.41 41.84 43.72 46.36 48.24 51.59

HSO2 Hydrogen sulfonyl 141.42 266.68 49.96 57.24 62.72 66.82 72.30 75.52 79.41

HOSO Hydrogen sulfinyl 241.42 270.62 49.66 56.19 60.92 64.27 68.62 71.38 75.69

HSOH Oxadisulfane 119.24 245.43 45.31 51.13 56.36 60.50 66.19 69.54 73.64

H2SO Hydrogen 47.28 239.58 39.87 46.57 52.97 58.37 66.19 71.13 77.15
sulfoxide

HOSHO Hydrogen sulfinic 269.87 269.78 56.82 66.27 73.85 79.54 87.11 91.84 98.49
acid

HOSO2 Hydroxy sulfonyl 391.20 295.89 70.04 78.49 84.22 88.16 92.97 95.98 100.50

S2 Disulfur 128.4 228.00 32.59 34.01 35.06 35.81 36.65 37.20 38.87

HS2 Thiosulfeno 104.6 253.30 39.75 42.72 45.02 46.82 49.50 51.55 54.39

H2S2 Disulfane 15.9 251.00 48.87 54.18 58.16 61.25 66.07 69.79 75.40

651