Hexanoic acid, methyl ester
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: NUKZAGXMHTUAFE-UHFFFAOYSA-N
- CAS Registry Number: 106-70-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Methyl caproate; Methyl capronate; Methyl hexanoate; Methyl hexoate; Methyl n-hexanoate; n-Caproic acid methyl ester; Methyl hexylate; Methyl ester of hexanoic acid; Caproic acid, methyl ester; Methyl n-hexoate; NSC 5023
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Condensed phase thermochemistry data
Go To: Top, References, Notes
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°liquid||-540.2 ± 1.0||kJ/mol||Ccb||Adriaanse, Dekker, et al., 1965||Heat of formation derived by Cox and Pilcher, 1970|
|cH°liquid||-4184.0 ± 0.4||kJ/mol||Ccb||Freedman, Bagby, et al., 1989||Corresponding «DELTA»fHºliquid = -571.5 kJ/mol (simple calculation by NIST; no Washburn corrections)|
|cH°liquid||-4215.0 ± 0.6||kJ/mol||Ccb||Adriaanse, Dekker, et al., 1965||Corresponding «DELTA»fHºliquid = -540.4 kJ/mol (simple calculation by NIST; no Washburn corrections)|
Go To: Top, Condensed phase thermochemistry data, Notes
Adriaanse, Dekker, et al., 1965
Adriaanse, N.; Dekker, H.; Coops, J., Heats of combustion of normal saturated fatty acids and their methyl esters, Rec. Trav. Chim. Pays/Bas, 1965, 84, 393-407. [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]
Freedman, Bagby, et al., 1989
Freedman, B.; Bagby, M.O.; Khoury, H., Correlation of heats of combustion with empirical formulas for fatty alcohols, J. Am. Oil Chem. Soc., 1989, 66, 595-596. [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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