Pentanoic acid, butyl ester
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: OKJADYKTJJGKDX-UHFFFAOYSA-N
- CAS Registry Number: 591-68-4
- Chemical structure:
This structure is also available as a 2d Mol file
- Other names: Valeric acid, butyl ester; Butyl pentanoate; Butyl valerate; Butyl valerianate; n-Butyl pentanoate; n-Butyl pentenoate
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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||-560. ± 2.||kJ/mol||Ccb||Schjanberg, 1937||Heat of formation derived by Cox and Pilcher, 1970|
Condensed phase thermochemistry data
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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||-613. ± 2.||kJ/mol||Ccb||Schjanberg, 1937||Heat of formation derived by Cox and Pilcher, 1970; ALS|
|cH°liquid||-5500.7 ± 1.7||kJ/mol||Ccb||Schjanberg, 1937||Reanalyzed by Cox and Pilcher, 1970, Original value = -5495. ± 4. kJ/mol; Corresponding «DELTA»fHºliquid = -613.37 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS|
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Schjanberg, E., Die verbrennungswarmen und die refraktionsdaten einiger pentensaureeste, Z. Phys. Chem., 1937, 178, 274-281. [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:
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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