Butanoic acid, 2-methyl-, ethyl ester
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: HCRBXQFHJMCTLF-UHFFFAOYSA-N
- CAS Registry Number: 7452-79-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Butyric acid, 2-methyl-, ethyl ester; Ethyl «alpha»-methylbutyrate; Ethyl 2-methylbutanoate; Ethyl 2-methylbutyrate; 2-Methylbutanoic acid ethyl ester; NSC 1103
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°gas||-516.1 ± 1.4||kJ/mol||Ccb||Verevkin, Beckhaus, et al., 1992||See 90BEC/VER|
|fH°gas||-522.6 ± 8.8||kJ/mol||Ccb||Hancock, Watson, et al., 1954||Heat of formation derived by Cox and Pilcher, 1970|
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, References, Notes
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
|fH°liquid||-560.4 ± 1.4||kJ/mol||Ccb||Verevkin, Beckhaus, et al., 1992||See 90BEC/VER; ALS|
|cH°liquid||-4195.0 ± 1.3||kJ/mol||Ccb||Verevkin, Beckhaus, et al., 1992||See 90BEC/VER; Corresponding «DELTA»fHºliquid = -560.40 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS|
|cH°liquid||-4188.6 ± 8.4||kJ/mol||Ccb||Hancock, Watson, et al., 1954||Reanalyzed by Cox and Pilcher, 1970, Original value = -4188. kJ/mol; Heat of formation derived by Cox and Pilcher, 1970; Corresponding «DELTA»fHºliquid = -566.76 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS|
Constant pressure heat capacity of liquid
|Cp,liquid (J/mol*K)||Temperature (K)||Reference||Comment|
|327.4||298.15||Verevkin, Beckhaus, et al., 1992||DH|
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Verevkin, Beckhaus, et al., 1992
Verevkin, S.P.; Beckhaus, H.-D.; Ruchardt, C., Geminale substituenteneffekte Teil 5«alpha». Standardbildungsenthalpien von alkylsubstituierten Malonsaure- und «alpha»-aminocarbonsaureestern, Thermochim. Acta, 1992, 197, 27-39. [all data]
Hancock, Watson, et al., 1954
Hancock, C.K.; Watson, G.M.; Gilby, R.F., Heats of combustion of five-carbon fatty acids and their methyl and ethyl esters, J. Phys. Chem., 1954, 58, 127-129. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid cH°liquid Enthalpy of combustion of liquid at standard conditions fH°gas Enthalpy of formation of gas at standard conditions fH°liquid Enthalpy of formation of liquid at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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