National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 18October 2016
NIST Standard Reference Database 101
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XIIGeometries
XIII Vibrations
XIVReaction data
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XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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II.C.3.

Species with enthalpy of formation at 0K in database.

Enthalpy of formation (Hfg) in kJ mol-1
(Change energy units)
Species Name Hfg 0K Reference DOI
D Deuterium atom 219.8 Gurvich 10.1351/pac198961061027
H Hydrogen atom 216.0 CODATA
H+ Hydrogen atom cation 1528.1 Gurvich 10.1351/pac198961061027
D2 Deuterium diatomic 0.0 JANAF
H2 Hydrogen diatomic 0.0 CODATA
H2+ Hydrogen cation 1488.4 webbook
HD Deuterium hydride 0.3 Gurvich 10.1351/pac198961061027
Li Lithium atom 157.7 CODATA
LiH Lithium Hydride 140.8 JANAF
Be Beryllium atom 319.8 CODATA
BeH beryllium monohydride 319.0 JANAF
BeH2 beryllium dihydride 127.2 JANAF
B Boron atom 559.9 CODATA
BH Boron monohydride 439.5 JANAF
BH2 boron dihydride 318.0 Gurvich 10.1351/pac198961061027
BH3 boron trihydride 91.9 Gurvich 10.1351/pac198961061027
C Carbon atom 711.2 CODATA
C+ Carbon atom cation 1797.6 JANAF
CH Methylidyne 592.5 2005Rus/Bog:573 10.1063/1.1724828
CH+ Methylidyne cation 1617.2 webbook
CH2 Methylene 390.7 2005Rus/Bog:573 10.1063/1.1724828
CH2 Methylene 428.3 2005Rus/Bog:573 10.1063/1.1724828
CH3 Methyl radical 150.0 2005Rus/Bog:573 10.1063/1.1724828
CH4 Methane -66.6 Gurvich 10.1351/pac198961061027
N Nitrogen atom 470.8 CODATA
NH Imidogen 358.4 Gurvich 10.1351/pac198961061027
ND2 Amidogen-d2 188.3 JANAF
NH2 Amino radical 189.1 2005Rus/Bog:573 10.1063/1.1724828
ND3 Ammonia-d3 -51.6 JANAF
NH3 Ammonia -38.9 CODATA
O Oxygen atom 246.8 2006Rus/Pin:6592 10.1021/jp056311j
DO Hydroxyl-d 36.9 Gurvich 10.1351/pac198961061027
OH Hydroxyl radical 37.1 2006Rus/Pin:6592 10.1021/jp056311j
OH- hydroxide anion -137.0 Gurvich 10.1351/pac198961061027
OH+ hydoxyl cation 1284.1 Gurvich 10.1351/pac198961061027
D2O Deuterium oxide -246.3 Gurvich 10.1351/pac198961061027
H2O Water -238.9 2006Rus/Pin:6592 10.1021/jp056311j
HDO Water-d1 -242.3 Gurvich 10.1351/pac198961061027
F Fluorine atom 77.3 CODATA
DF Hydrofluoric acid-d -276.2 Gurvich 10.1351/pac198961061027
HF Hydrogen fluoride -273.3 CODATA
Na Sodium atom 107.8 CODATA
NaH sodium hydride 126.2 JANAF
Mg Magnesium atom 145.9 CODATA
MgH magnesium monohydride 230.3 Gurvich 10.1351/pac198961061027
Al Aluminum atom 327.6 CODATA
AlH aluminum monohydride 249.4 Gurvich 10.1351/pac198961061027
AlH2 aluminum dihydride 279.7 Gurvich 10.1351/pac198961061027
AlH3 aluminum trihydride 135.7 Gurvich 10.1351/pac198961061027
Si Silicon atom 445.7 CODATA
SiH Silylidyne 366.9 Gurvich 10.1351/pac198961061027
SiH2 silicon dihydride 275.0 Gurvich 10.1351/pac198961061027
SiH3 Silyl radical 206.0 1991Set/Fen:1658 10.1021/j100157a030
SiH4 Silane 43.9 Gurvich 10.1351/pac198961061027
P Phosphorus atom 315.7 CODATA
PH phosphorus monohydride 254.5 JANAF
PH2 Phosphino radical 123.4 Gurvich 10.1351/pac198961061027
PH3 Phosphine 13.4 JANAF
S Sulfur atom 274.9 CODATA
DS Mercapto-d 137.9 JANAF
HS Mercapto radical 140.0 Gurvich 10.1351/pac198961061027
D2S Hydrogen sulfide-d2 -21.0 JANAF
H2S Hydrogen sulfide -17.7 CODATA
Cl Chlorine atom 119.6 CODATA
DCl Hydrochloric acid-d -93.3 Gurvich 10.1351/pac198961061027
HCl Hydrogen chloride -92.1 CODATA
K Potassium atom 89.9 CODATA
Ca Calcium atom 177.3 CODATA
Ti Titanium atom 470.0 CODATA
Cu Copper atom 336.2 CODATA
Zn Zinc atom 129.9 webbook
GeH4 Germane 101.2 1990Rus/Sch:1865 10.1063/1.458587
AsH Arsenic monohydride 233.5 1993Jor/Rob:215 10.1007/BF00224744
AsH2 Arsenic dihydride 171.3 1993Jor/Rob:215 10.1007/BF00224744
AsH3 Arsine 73.9 1993Jor/Rob:215 10.1007/BF00224744
Se Selenium atom 235.4 2005Se
Br Bromine atom 117.9 CODATA
Br- Bromine atom anion -206.8 Gurvich 10.1351/pac198961061027
HBr hydrogen bromide -28.4 CODATA
I Iodine atom 107.2 CODATA
HI Hydrogen iodide 28.7 CODATA
Li2 Lithium diatomic 215.5 JANAF
Be2 Beryllium diatomic 631.1 JANAF
B2 Boron diatomic 829.8 Gurvich 10.1351/pac198961061027
B2H6 Diborane 52.4 Gurvich 10.1351/pac198961061027
C2 Carbon diatomic 822.4 Gurvich 10.1351/pac198961061027
C2H Ethynyl radical 565.0 Gurvich 10.1351/pac198961061027
C2H2 Acetylene 228.0 Gurvich 10.1351/pac198961061027
C2H4 Ethylene 61.0 Gurvich 10.1351/pac198961061027
C2H5 Ethyl radical 131.8 1994Ber/Ell:2744 10.1021/j100062a009
C2H6 Ethane -68.4 Gurvich 10.1351/pac198961061027
BN boron nitride 560.7 Gurvich 10.1351/pac198961061027
CN Cyano radical 437.0 Gurvich 10.1351/pac198961061027
N2 Nitrogen diatomic 0.0 CODATA
HCN Hydrogen cyanide 132.4 Gurvich 10.1351/pac198961061027
HNC hydrogen isocyanide 194.0 Gurvich 10.1351/pac198961061027
N2H2 trans-diazine 219.0 Gurvich 10.1351/pac198961061027
CH2NH Methanimine 91.2 webbook
N2H4 Hydrazine 109.3 Gurvich 10.1351/pac198961061027
CH3NH2 methyl amine -7.8 TRC
BeO beryllium oxide 134.0 JANAF
BO boron monoxide 6.7 Gurvich 10.1351/pac198961061027
CO Carbon monoxide -113.8 CODATA
LiO lithium oxide 84.1 JANAF
NO Nitric oxide 90.5 2006Rus/Pin:6592 10.1021/jp056311j
O2 Oxygen diatomic 0.0 CODATA
BeOH beryllium hydroxide -100.0 Gurvich 10.1351/pac198961061027
HBO Boron hydride oxide -210.0 Gurvich 10.1351/pac198961061027
HCO Formyl radical 41.6 Gurvich 10.1351/pac198961061027
HNO Nitrosyl hydride 110.0 Gurvich 10.1351/pac198961061027
HO2 Hydroperoxy radical 15.2 2006Rus/Pin:6592 10.1021/jp056311j
LiOH lithium hydroxide -227.1 1996Gur/Ber:1211 10.1063/1.555982
H2CO Formaldehyde -104.9 Gurvich 10.1351/pac198961061027
H2O2 Hydrogen peroxide -129.7 2006Rus/Pin:6592 10.1021/jp056311j
CH2OH Hydroxymethyl radical -10.7 2005Rus/Bog:573 10.1063/1.1724828
CH3O Methoxy radical 28.4 2005Rus/Bog:573 10.1063/1.1724828
NH2OH hydroxylamine -39.9 Gurvich 10.1351/pac198961061027
CH3OH Methyl alcohol -190.1 Gurvich 10.1351/pac198961061027
BeF Beryllium monofluoride -172.2 JANAF
BF Boron monofluoride -110.0 Gurvich 10.1351/pac198961061027
CF Fluoromethylidyne 251.6 JANAF
F2 Fluorine diatomic 0.0 CODATA
FO Oxygen monofluoride 108.4 Gurvich 10.1351/pac198961061027
LiF lithium fluoride -340.6 JANAF
NF nitrogen fluoride 233.0 Gurvich 10.1351/pac198961061027
HCF Fluoromethylene 105.0 Gurvich 10.1351/pac198961061027
HOF Hypofluorous acid -94.0 Gurvich 10.1351/pac198961061027
H2F2 Hydrogen fluoride dimer -566.5 Gurvich 10.1351/pac198961061027
CH3F Methyl fluoride -247.0 Gurvich 10.1351/pac198961061027
Na2 Sodium diatomic 144.6 JANAF
NaF sodium fluoride -288.8 JANAF
NaO sodium monoxide 85.0 JANAF
NaOH sodium hydroxide -187.4 JANAF
Mg2 Magnesium diatomic 288.2 JANAF
MgF Magnesium monofluoride -231.8 Gurvich 10.1351/pac198961061027
MgO magnesium oxide 151.0 1989OPE/TEW9152 10.1021/ja00208a002
MgOH magnesium hydroxide -92.0 1989OPE/TEW9152 10.1021/ja00208a002
Al2 Aluminum diatomic 525.9 1990Fu/Lem:8420 10.1063/1.459280
AlF Aluminum monofluoride -265.6 JANAF
AlN Aluminum nitride 438.4 Gurvich 10.1351/pac198961061027
AlO Aluminum monoxide 67.0 JANAF
Si2 Silicon diatomic 580.0 Gurvich 10.1351/pac198961061027
SiF silicon monofluoride -27.1 Gurvich 10.1351/pac198961061027
SiN Silicon nitride 402.5 Gurvich 10.1351/pac198961061027
SiO Silicon monoxide -101.6 JANAF
SiH3F monofluorosilane -367.2 JANAF
CP Carbon monophosphide 517.9 Gurvich 10.1351/pac198961061027
P2 Phosphorus diatomic 145.8 CODATA
PF phosphorus monofluoride -51.3 JANAF
PN Phosphorus mononitride 172.5 Gurvich 10.1351/pac198961061027
PO Phosphorus monoxide -27.5 Gurvich 10.1351/pac198961061027
HCP HCP 213.5 JANAF
HPO HPO -53.0 Gurvich 10.1351/pac198961061027
CH2PH H2CPH -281.8 webbook
P2H4 H2PPH2 -12.5 webbook
AlS Aluminum sulfide 232.6 Gurvich 10.1351/pac198961061027
BeS beryllium sulfide 261.0 JANAF
BS boron sulfide 240.0 JANAF
CS carbon monosulfide 273.2 1979Ela/Ber:5151 10.1063/1.437355
MgS magnesium sulfide 120.8 Gurvich 10.1351/pac198961061027
NS Mononitrogen monosulfide 266.8 Gurvich 10.1351/pac198961061027
PS phosphorus sulfide 150.6 Gurvich 10.1351/pac198961061027
S2 Sulfur diatomic 128.3 CODATA
SF Monosulfur monofluoride 14.8 Gurvich 10.1351/pac198961061027
SiS silicon monosulfide 104.7 JANAF
SO Sulfur monoxide 5.0 JANAF
HBS hydrogen boron sulfide -16.7 JANAF
H2CS Thioformaldehyde 118.4 1993RUS/BER:2568 10.1063/1.464139
H2S2 Disulfane 21.2 TRC
CH3S thiomethoxy 129.9 1999BIS/CHO805 10.1063/1.478048
CH3SH Methanethiol -11.9 webbook
AlCl Aluminum monochloride -51.7 JANAF
BCl boron monochloride 169.5 Gurvich 10.1351/pac198961061027
BeCl beryllium monochloride 58.3 JANAF
CCl carbon monochloride 435.8 Gurvich 10.1351/pac198961061027
Cl2 Chlorine diatomic 0.0 CODATA
ClF Chlorine monofluoride -50.2 JANAF
ClO Monochlorine monoxide 101.3 JANAF
LiCl lithium chloride -195.6 JANAF
MgCl magnesium monochloride -54.5 Gurvich 10.1351/pac198961061027
NaCl Sodium Chloride -180.0 JANAF
PCl phosphorus chloride 135.3 Gurvich 10.1351/pac198961061027
SCl sulfur monochloride 155.6 JANAF
SiCl Clorosilylidyne 140.3 Gurvich 10.1351/pac198961061027
DOCl Hypochlorous acid-d -75.3 JANAF
HOCl hypochlorous acid -71.5 JANAF
CH3Cl Methyl chloride -73.9 Gurvich 10.1351/pac198961061027
SiH3Cl chlorosilane -132.8 JANAF
CaO Calcium monoxide 39.1 Gurvich 10.1351/pac198961061027
CaOH Calcium monohydroxide -170.0 Gurvich 10.1351/pac198961061027
CuCl Copper monochloride 91.2 JANAF
CuF Copper monofluoride 12.2 JANAF
CuO Copper Monoxide 305.9 JANAF
GeF Germanium monofluoride -70.7 Gurvich 10.1351/pac198961061027
Br2 Bromine diatomic 45.7 CODATA
BrCl Bromine monochloride 22.2 Gurvich 10.1351/pac198961061027
BrF Bromine monofluoride -51.2 Gurvich 10.1351/pac198961061027
HOBr Hypobromous acid -47.7 2001Joe:11041 10.1021/jp011833u
CH3Br methyl bromide -21.0 Gurvich 10.1351/pac198961061027
I2 Iodine diatomic 65.5 Gurvich 10.1351/pac198961061027
C3H4 cyclopropene 285.8 TRC
CH2CCH2 allene 198.4 1970COX/PIL
CH3CCH propyne 191.6 webbook
C3H6 Cyclopropane 70.4 TRC
CH2CHCH3 Propene 34.7 TRC
C3H8 Propane -82.4 TRC
HN3 hydrogen azide 300.3 Gurvich 10.1351/pac198961061027
CH2NN diazomethane 215.0 webbook
CH3CN Acetonitrile 71.5 TRC
C2H5N Aziridine 142.5 TRC
CH3CH2NH2 Ethylamine -26.7 TRC
CH3NHCH3 Dimethylamine 3.0 TRC
BO2 Boron dioxide -310.0 Gurvich 10.1351/pac198961061027
CO2 Carbon dioxide -393.1 CODATA
N2O Nitrous oxide 85.0 Gurvich 10.1351/pac198961061027
NO2 Nitrogen dioxide 36.8 2006Rus/Pin:6592 10.1021/jp056311j
O3 Ozone 144.5 Gurvich 10.1351/pac198961061027
HNCO Isocyanic acid -98.7 JANAF
HNO2 Nitrous acid -72.8 Gurvich 10.1351/pac198961061027
CH2CO Ketene -44.5 2005Rus/Bog:573 10.1063/1.1724828
HCOOH Formic acid -371.5 Gurvich 10.1351/pac198961061027
CH3CO Acetyl radical -3.6 2005Rus/Bog:573 10.1063/1.1724828
C2H4O Ethylene oxide -40.1 JANAF
CH3CHO Acetaldehyde -160.2 webbook
CH3CH2O Ethoxy radical -0.2 2005Rus/Bog:573 10.1063/1.1724828
CH3CH2OH Ethanol -217.1 Gurvich 10.1351/pac198961061027
CH3OCH3 Dimethyl ether -166.6 TRC
BeF2 Beryllium fluoride -796.7 Gurvich 10.1351/pac198961061027
CF2 Difluoromethylene -184.6 1997Pou/Pau:5327 10.1021/jp970778f
F2O Difluorine monoxide 26.8 Gurvich 10.1351/pac198961061027
FCN Cyanogen fluoride 34.0 Gurvich 10.1351/pac198961061027
FNO Nitrosyl fluoride -62.6 Gurvich 10.1351/pac198961061027
FO2 Dioxygen monofluoride 27.2 JANAF
NF2 Difluoroamino radical 37.0 Gurvich 10.1351/pac198961061027
BHF2 Difluoroborane -736.0 Gurvich 10.1351/pac198961061027
CH2F2 Methane, difluoro- -444.5 Gurvich 10.1351/pac198961061027
CH2CHF Ethene, fluoro- -132.2 Gurvich 10.1351/pac198961061027
MgF2 Magnesium fluoride -734.3 Gurvich 10.1351/pac198961061027
SiO2 silicon dioxide -320.7 Gurvich 10.1351/pac198961061027
PO2 Phosphorus dioxide -278.0 Gurvich 10.1351/pac198961061027
CS2 Carbon disulfide 115.9 Gurvich 10.1351/pac198961061027
OCS Carbonyl sulfide -141.8 Gurvich 10.1351/pac198961061027
S3 Sulfur trimer 146.0 Gurvich 10.1351/pac198961061027
SF2 sulfur difluoride -291.0 Gurvich 10.1351/pac198961061027
SO2 Sulfur dioxide -294.3 CODATA
SSO Disulfur monoxide -54.0 Gurvich 10.1351/pac198961061027
C2H4S Thiirane 94.4 TRC
CH3CH2SH ethanethiol -29.2 TRC
BeCl2 Beryllium chloride -362.5 Gurvich 10.1351/pac198961061027
CCl2 dichloromethylene 228.9 1997Pou/Pau:5327 10.1021/jp970778f
Cl2O Dichlorine monoxide 82.8 JANAF
ClCN chlorocyanogen 133.5 Gurvich 10.1351/pac198961061027
ClNO Nitrosyl chloride 54.6 Gurvich 10.1351/pac198961061027
ClOO chloroperoxy radical 99.7 JANAF
ClS2 Sulfur chloride 79.5 JANAF
MgCl2 Magnesium dichloride -398.9 Gurvich 10.1351/pac198961061027
OClO Chlorine dioxide 99.0 JANAF
SiCl2 Dichlorosilylene -163.2 Gurvich 10.1351/pac198961061027
BHCl2 Borane, dichloro- -249.0 Gurvich 10.1351/pac198961061027
CH2Cl2 Methylene chloride -88.2 Gurvich 10.1351/pac198961061027
SiH2Cl2 dichlorosilane -313.0 JANAF
CH3CH2Cl Ethyl chloride -97.7 TRC
CaCl2 Calcium Chloride -485.2 Gurvich 10.1351/pac198961061027
CaF2 Calcium difluoride -789.1 Gurvich 10.1351/pac198961061027
GeCl2 Germanium dichloride -170.5 Gurvich 10.1351/pac198961061027
GeO2 Germanium dioxide -104.1 Gurvich 10.1351/pac198961061027
BrCN Cyanogen bromide 192.8 JANAF
CH2Br2 dibromomethane 31.0 Gurvich 10.1351/pac198961061027
C4 Carbon tetramer 964.0 JANAF
C4H6 1-Methylcyclopropene 257.9 1970COX/PIL
C4H6 Cyclobutene 173.8 1970COX/PIL
C4H6 Methylenecyclopropane 216.3 1970COX/PIL
CH2CCHCH3 1,2-Butadiene 175.8 1970COX/PIL
CH2CHCHCH2 1,3-Butadiene 124.5 1970COX/PIL
CH3CCCH3 2-Butyne 159.0 1970COX/PIL
CHCCH2CH3 1-Butyne 178.9 1970COX/PIL
C4H8 cyclobutane 53.0 TRC
CH2C(CH3)CH3 1-Propene, 2-methyl- 4.0 1970COX/PIL
CH2CHCH2CH3 1-Butene 20.4 TRC
C(CH3)3 Tert-butyl radical 75.7 1994Ber/Ell:2744 10.1021/j100062a009
CH3CHCH2CH3 2-Butyl radical 91.6 1994Ber/Ell:2744 10.1021/j100062a009
CH3CH(CH3)CH3 Isobutane -106.4 TRC
CH3CH2CH2CH3 Butane -98.5 TRC
C2N2 Cyanogen 307.2 Gurvich 10.1351/pac198961061027
C3H3N acrylonitrile 187.2 TRC
C3H7N Cyclopropylamine 97.5 TRC
CH3CH(NH2)CH3 2-Propanamine -56.9 TRC
NH2CH2CH2CH3 1-Propanamine -42.4 TRC
B2O2 Diboron dioxide -460.0 Gurvich 10.1351/pac198961061027
NO3 Nitrogen trioxide 78.9 1993Dav/Kim:2172 10.1021/j100112a018
HNO3 Nitric acid -124.2 Gurvich 10.1351/pac198961061027
C2H2O2 Ethanedial -206.4 TRC
CH3NO2 Methane, nitro- -60.8 TRC
C3H4O Methylketene -77.0 TRC
CH2CHCHO Acrolein -74.0 TRC
CH3COOH Acetic acid -418.1 TRC
NH2CONH2 Urea -220.7 TRC
CH3CONH2 Acetamide -221.0 TRC
C2H6O2 1,2-Ethanediol -367.9 TRC
C3H6O Oxetane -60.5 1992Dor:9 10.1016/0040-6031(92)80002-E
C3H6O Propylene oxide -75.2 TRC
CH3CH2CHO Propanal -170.6 TRC
CH3COCH3 Acetone -200.5 TRC
C3H7OH 1-Propanol -231.3 TRC
CH3CHOHCH3 Isopropyl alcohol -248.6 TRC
CH3OC2H5 Ethane, methoxy- -193.6 TRC
BF3 Borane, trifluoro- -1133.2 CODATA
CF2O Carbonic difluoride -620.0 Gurvich 10.1351/pac198961061027
CF3 Trifluoromethyl radical -469.2 Gurvich 10.1351/pac198961061027
N2F2 (Z)-Difluorodiazene 67.0 Gurvich 10.1351/pac198961061027
N2F2 Dinitrogen difluoride, (E)- 72.6 Gurvich 10.1351/pac198961061027
NF3 Nitrogen trifluoride -126.4 JANAF
CHF3 Methane, trifluoro- -689.7 Gurvich 10.1351/pac198961061027
CH2CF2 Ethene, 1,1-difluoro- -329.5 Gurvich 10.1351/pac198961061027
CH3COF Acetyl fluoride -432.4 TRC
CH3CHF2 Ethane, 1,1-difluoro- -487.0 TRC
AlF3 Aluminum trifluoride -1205.6 JANAF
P4 Phosphorus tetramer 66.2 CODATA
PF3 Phosphorus trifluoride -952.8 JANAF
SF3 Sulfur trifluoride 6.1 1995Iri:5357 10.1063/1.469263
SO3 Sulfur trioxide -390.2 Gurvich 10.1351/pac198961061027
CH3CHSHCH3 2-Propanethiol -52.9 webbook
AlCl3 Aluminum trichloride -582.8 JANAF
AlF2Cl Aluminum chloride difluoride -996.0 Gurvich 10.1351/pac198961061027
AlFCl2 Aluminum dichloride fluoride -789.0 Gurvich 10.1351/pac198961061027
BCl3 Borane, trichloro- -402.0 JANAF
CCl2O Phosgene -218.4 JANAF
CCl3 Trichloromethyl radical 69.9 1991Hud/Joh:4400 10.1021/j100164a043
ClF3 Chlorine trifluoride -160.5 Gurvich 10.1351/pac198961061027
ClNO2 Nitryl chloride 17.9 Gurvich 10.1351/pac198961061027
Na2Cl2 Disodium dichloride -562.5 JANAF
PCl3 Phosphorus trichloride -285.5 JANAF
S2Cl2 Disulfur dichloride -15.2 JANAF
CHCl3 Chloroform -97.9 Gurvich 10.1351/pac198961061027
SiHCl3 Trichlorosilane -491.1 JANAF
CH3COCl Acetyl Chloride -233.8 TRC
CH2ClCH2Cl Ethane, 1,2-dichloro- -120.1 2002Man:123 10.1063/1.1420703
CH3CHCl2 Ethane, 1,1-dichloro- -119.8 TRC
CH3CHFCl Ethane, 1-chloro-1-fluoro- -300.4 TRC
CH2ClCH2CH3 Propane, 1-chloro- -111.2 TRC
CH3CHClCH3 Propane, 2-chloro- -124.3 TRC
BrF3 Bromine trifluoride -244.8 Gurvich 10.1351/pac198961061027
C5H6 1,3-Cyclopentadiene 151.4 TRC
C5H8 1,2-Butadiene, 3-methyl- 148.0 TRC
C5H8 1,2-Pentadiene 160.5 TRC
C5H8 1,3-Butadiene, 2-methyl- 96.3 TRC
C5H8 1,3-Pentadiene, (E)- 96.3 TRC
C5H8 1,3-Pentadiene, (Z)- 103.0 TRC
C5H8 1,4-Pentadiene 121.6 TRC
C5H8 2,3-Pentadiene 152.6 TRC
C5H8 Cyclobutane, methylene- 144.9 TRC
C5H8 Cyclopentene 58.2 TRC
C5H10 1-Butene, 2-methyl- -8.2 TRC
C5H10 2-Butene, 2-methyl- -13.4 TRC
C5H10 2-Pentene, (E)- -4.6 TRC
C5H10 2-Pentene, (Z)- 1.3 TRC
C5H10 Cyclopentane -44.5 TRC
C5H10 Cyclopropane, 1,1-dimethyl- 20.8 TRC
C5H12 Butane, 2-methyl- -119.7 TRC
C5H12 Pentane -114.9 TRC
C5H12 Propane, 2,2-dimethyl- -135.0 TRC
CH2N4 1H-Tetrazole 342.0 TRC
C4H5N (E)-2-Butenenitrile 153.1 TRC
C4H5N (Z)-2-Butenenitrile 146.6 TRC
C4H5N Pyrrole 124.8 TRC
CH3CH(CH3)CN Propanenitrile, 2-methyl- 43.7 TRC
CH3CH2CH2CN Butanenitrile 55.7 TRC
C(CH3)3NH2 2-Propanamine, 2-methyl- -87.1 TRC
C3O2 Carbon suboxide -99.7 Gurvich 10.1351/pac198961061027
N2O3 Dinitrogen trioxide 91.2 Gurvich 10.1351/pac198961061027
C3H3NO Isoxazole 91.3 TRC
C3H3NO Oxazole -2.9 TRC
C3H4O2 β–Propiolactone -282.3 TRC
C3H4O2 2-Propenoic acid -311.0 TRC
C4H4O Furan -21.6 1977Ped/Ryl
C3H6O2 1,3-Dioxolane -275.0 1992Dor:9 10.1016/0040-6031(92)80002-E
C4H8O Furan, tetrahydro- -156.4 1992Dor:9 10.1016/0040-6031(92)80002-E
CH3COCH2CH3 2-Butanone -217.1 TRC
CHOCH2CH2CH3 Butanal -185.7 TRC
C4H10O 1-Butanol -244.4 TRC
C4H10O Ethanol, 1,1-dimethyl- -282.2 TRC
C4H10O Ethoxy ethane -223.4 TRC
CF4 Carbon tetrafluoride -927.2 Gurvich 10.1351/pac198961061027
F3NO Nitrogen trifluoride oxide -178.8 Gurvich 10.1351/pac198961061027
FNO3 Fluorine nitrate 22.3 Gurvich 10.1351/pac198961061027
CF3OH trifluoromethanol -900.8 1997Ash/App:9111 10.1063/1.474017
SiF4 Silicon tetrafluoride -1609.5 CODATA
F3PO Phosphoryl fluoride -1243.2 Gurvich 10.1351/pac198961061027
SF4 Sulfur tetrafluoride -753.0 Gurvich 10.1351/pac198961061027
H2SO4 Sulfuric acid -719.0 Gurvich 10.1351/pac198961061027
C4H4S Thiophene 127.2 1995Dor/Gur:1351 10.1063/1.555962
C4H6S Thiophene, 2,3-dihydro- 109.8 1995Dor/Gur:1351 10.1063/1.555962
C4H6S Thiophene, 2,5-dihydro- 105.5 1995Dor/Gur:1351 10.1063/1.555962
C4H8S Thiophene, tetrahydro- -8.3 1995Dor/Gur:1351 10.1063/1.555962
CCl4 Carbon tetrachloride -93.3 Gurvich 10.1351/pac198961061027
CF2Cl2 difluorodichloromethane -481.8 Gurvich 10.1351/pac198961061027
CF3Cl Methane, chlorotrifluoro- -702.7 Gurvich 10.1351/pac198961061027
CFCl3 Trichloromonofluoromethane -281.8 Gurvich 10.1351/pac198961061027
Cl3PO Phosphoryl chloride -554.2 JANAF
ClFO3 Perchloryl fluoride -12.7 JANAF
SiCl4 Silane, tetrachloro- -660.1 Gurvich 10.1351/pac198961061027
SO2Cl2 Sulfuryl chloride -348.6 JANAF
CHClCCl2 Trichloroethylene -14.0 2002Man:123 10.1063/1.1420703
CH3CCl3 Ethane, 1,1,1-trichloro- -131.9 2002Man:123 10.1063/1.1420703
CBr4 Carbon tetrabromide 150.0 Gurvich 10.1351/pac198961061027
C6H5 phenyl 352.7 1996Dav/Bie:2590 10.1021/ja00114a023
C6H6 Benzene 100.4 TRC
C6H8 1,3-Cyclohexadiene 130.1 TRC
C6H8 1,4-Cyclohexadiene 132.6 TRC
C6H12 Cyclohexane -83.8 TRC
C6H12 Ethylcyclobutane 7.7 webbook
C6H14 Butane, 2,2-dimethyl- -143.5 TRC
C6H14 Hexane -130.1 TRC
C6H14 Pentane, 2-methyl- -135.3 TRC
C6H14 Pentane, 3-methyl- -132.5 TRC
C4N2 2-Butynedinitrile 528.6 JANAF
C5H9N Butanenitrile, 2-methyl- 28.8 webbook
N2O4 Dinitrogen tetroxide 20.4 Gurvich 10.1351/pac198961061027
C5H8O Cyclopentanone -165.8 TRC
C5H12O 1-Pentanol -260.4 TRC
B2F4 Diboron tetrafluoride -1435.6 Gurvich 10.1351/pac198961061027
C2F4 Tetrafluoroethylene -656.1 Gurvich 10.1351/pac198961061027
CF3CN Acetonitrile, trifluoro- -491.6 JANAF
PF5 Phosphorus pentafluoride -1582.4 Gurvich 10.1351/pac198961061027
C5H10S 2H-Thiopyran, tetrahydro- -30.0 1995Dor/Gur:1351 10.1063/1.555962
C5H12S Ethyl propyl sulfide -71.5 webbook
C5H12S Propane, 2-methyl-2-(methylthio)- -86.1 webbook
B2Cl4 Diboron tetrachloride -490.8 Gurvich 10.1351/pac198961061027
C2Cl4 Tetrachloroethylene -23.6 2002Man:123 10.1063/1.1420703
PCl5 Phosphorus pentachloride -354.7 JANAF
BrF5 bromine pentafluoride -413.7 Gurvich 10.1351/pac198961061027
C6H5CH2 benzyl radical 226.8 2005Rus/Bog:573 10.1063/1.1724828
C7H14 cycloheptane -72.9 TRC
SF6 Sulfur Hexafluoride -1206.5 JANAF
C2F6 hexafluoroethane -1335.6 JANAF
S8 Octasulfur 104.4 JANAF
SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- -1770.0 2001Chi/Ken:8403 10.1021/jp0116050
Found 437 species.
References
squib reference
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1989OPE/TEW9152 Operti, L; Tews, EC; MacMahon, TJ; Freiser, BS, Thermochemical properties of Gas-Phase MgOH and MgO determined by FTMS. JACS 111, 9152, 1989
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1992Dor:9 OV Dorofeeva "Ideal Gas thermodynamic properties of oxygen heterocyclic compounds Part 1. Three-membered, four-membered, and five-membered rings" Thermochimica Acta 194 (1992) 9-46
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1995Iri:5357 KK Irikura " STRUCTURE AND THERMOCHEMISTRY OF SULFUR FLUORIDES SFN (N=1-5) AND THEIR IONS SFN+ (N=1-5)" JOURNAL OF CHEMICAL PHYSICS 102, 5357-5367, 1995
1996Dav/Bie:2590 GE Davico, VM Bierbaum, CH DePuy, GB Ellison, RR Squires "The C-H Bond Energy of Benzene" JACS 1995, 117, 2590-2599
1996Gur/Ber:1211 Gurvich LV, Bergman GA, Gorokhov LN, et al."Thermodynamic properties of alkali metal hydroxides .1. Lithium and sodium hydroxides"J PHYS CHEM REF DATA 25 (4): 1211-1276 JUL-AUG 1996
1997Ash/App:9111 RL Asher, EH Appelman, JL Tilson, M Lotorja, J Berkowitz, B Ruscic "A photoionization study of trifluoromethanol, CF3OH, trifluoromethylhypofluorite, CF3OF, and trifluoromethyl hypochlorite, CF3OCl" J. Chem. Phys. 106(22), 9111, 1997
1997Pou/Pau:5327 JC Poutsma, JA Paulino, RR Squires "Absolute Heats of Formation of CHCl, CHF, CClF. A Gas-Phase Experimental and G2 Theroretical Study" J. Phys. Chem. A 1997, 101, 5327-5336
1999BIS/CHO805 Bise RT, Choi H, Pedersen HB, Mordaunt DH, Neumark DM, Photodissociation spectroscopy and dynamics of the methylthio radical (CH3S),J. CHEM. PHYS. 110: (2) 805-816 JAN 8 1999
2001Chi/Ken:8403 RYL Chim, RA Kennedy, RP Tuckett, W Zhou, GK Jarvis, DJ Collins, PA Hatherly "Fragmentation of Energy-Selected SF5CF3+ Probed by Threshold Photoelectron Photoion Coincidence Spectroscopy: Bond Dissociation Energy of SF5-CF3 and Its Atmospheric Implications" J. Phys. Chem. A 2001, 105, 8403-8412
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CODATA Cox, J.D.; Wagman, D.D.; Medvedev, V.A.CODATA Key Values for Thermodynamics. Hemisphere, New York, 1989
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
JANAF Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.
TRC Frenkel, M; Marsh, K.N.; Wilhoit, R.C.; Kabo, G.J.; Roganov, G.N.,Thermodynamics of Organic Compounds in the Gas State,Thermodynamics Research Center, College Station, TX, 1994
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)

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