Butanoic acid, 2-methyl-, methyl ester
- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: OCWLYWIFNDCWRZ-UHFFFAOYSA-N
- CAS Registry Number: 868-57-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Species with the same structure:
- Other names: Butyric acid, 2-methyl-, methyl ester; Methyl «alpha»-methylbutanoate; Methyl «alpha»-methylbutyrate; Methyl 2-methylbutanoate; Methyl 2-methylbutyrate; 2-Methylbutanoic acid, methyl ester; dl-2-Methylbutyric acid methyl ester; Methyl ester of 2-methyl-butanoic acid; 2-Methylbutyric acid, methyl ester; Butyric acid, «alpha»-methyl-, methyl ester; 53955-81-0; 2-methyl(methyl butanoate)
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- Other data available:
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Condensed phase thermochemistry data
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Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°liquid||-127.7 ± 1.7||kcal/mol||Ccb||Hancock, Watson, et al., 1954||Heat of formation derived by Cox and Pilcher, 1970|
|cH°liquid||-846.5 ± 1.7||kcal/mol||Ccb||Hancock, Watson, et al., 1954||Reanalyzed by Cox and Pilcher, 1970, Original value = -846. kcal/mol; Corresponding «DELTA»fHºliquid = -127.70 kcal/mol (simple calculation by NIST; no Washburn corrections)|
Go To: Top, Condensed phase thermochemistry data, Notes
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, Condensed phase thermochemistry data, References
- Symbols used in this document:
cH°liquid Enthalpy of combustion of liquid 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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