- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: OQAGVSWESNCJJT-UHFFFAOYSA-N
- CAS Registry Number: 556-24-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Butanoic acid, 3-methyl-, methyl ester; Isovaleric acid, methyl ester; Methyl isopentanoate; Methyl 3-methylbutanoate; Methyl 3-methylbutyrate; 3-Methylbutanoic acid methyl ester; UN 2400
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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||-538.9 ± 7.1||kJ/mol||Ccb||Hancock, Watson, et al., 1954||Reanalyzed by Cox and Pilcher, 1970, Original value = -540. kJ/mol|
|cH°liquid||-3537.2 ± 7.1||kJ/mol||Ccb||Hancock, Watson, et al., 1954||Reanalyzed by Cox and Pilcher, 1970, Original value = -3540. kJ/mol; Corresponding «DELTA»fHºliquid = -538.90 kJ/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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