Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name |
---|---|
CH3SeH | Methane selenol |
H2NCH2COOH | Glycine |
CH3CONH2 | Acetamide |
CH3CH2OH | Ethanol |
HCOOH | Formic acid |
CH3COOH | Acetic acid |
CH3OH | Methyl alcohol |
CH3CHOHCH3 | Isopropyl alcohol |
CH3CCl3 | Ethane, 1,1,1-trichloro- |
C2H6 | Ethane |
CH3NH2 | methyl amine |
CH3CH2Cl | Ethyl chloride |
CH3CHO | Acetaldehyde |
CH3CHF2 | Ethane, 1,1-difluoro- |
C3H6O | Propylene oxide |
C2F6 | hexafluoroethane |
CH3COCH2CH3 | 2-Butanone |
C6H5CHCH2 | Styrene |
C6H5CHO | benzaldehyde |
CH3CH2CH2CH3 | Butane |
CHCCH2CH3 | 1-Butyne |
CH2ClCH2Cl | Ethane, 1,2-dichloro- |
CH2ClCHO | chloroacetaldehyde |
C2H2O2 | Ethanedial |
C6H5OH | phenol |
CH2CHCH3 | Propene |
CH3OCH3 | Dimethyl ether |
CH3CH2CHO | Propanal |
N2H4 | Hydrazine |
C2H5F | fluoroethane |
CH3CF3 | Ethane, 1,1,1-trifluoro- |
CH2ClCHCHCH3 | 2-Butene, 1-chloro- |
C2H5NO3 | Nitric acid, ethyl ester |
CH3SiH3 | methyl silane |
CH3OCH2CN | Methoxyacetonitrile |
C3H4O | Methylketene |
H2O2 | Hydrogen peroxide |
ClSSCl | Disulfur dichloride |
B2Cl4 | Diboron tetrachloride |
BH3NH3 | borane ammonia |
B2F4 | Diboron tetrafluoride |