Pentanoic acid, butyl ester
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChI: InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3
- 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°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 compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -613. ± 2. | kJ/mol | Ccb | Schjanberg, 1937 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -5500.7 ± 1.7 | kJ/mol | Ccb | Schjanberg, 1937 | Reanalyzed by Cox and Pilcher, 1970, Original value = -5495. ± 4. kJ/mol; Corresponding ΔfHºliquid = -613.37 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Phase change 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 460. | K | N/A | Gill and Dexter, 1934 | Uncertainty assigned by TRC = 3. K; TRC |
| Tboil | 459.0 | K | N/A | Gartenmeister, 1886 | Uncertainty assigned by TRC = 2. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Ttriple | 189.37 | K | N/A | Vasil'ev and Petrov, 1984 | Uncertainty assigned by TRC = 0.02 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 53. ± 1. | kJ/mol | E | Schjanberg, 1937 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
| ΔvapH° | 53.0 | kJ/mol | N/A | Schjanberg, 1937 | DRB |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 41. | 293. | V | Schjanberg, 1937 | ALS |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Schjanberg, 1937
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]
Gill and Dexter, 1934
Gill, A.H.; Dexter, F.P.,
Ind. Eng. Chem., 1934, 26, 881. [all data]
Gartenmeister, 1886
Gartenmeister, R.,
Investigation of the physical characterstics of liquid compounds: vi boiling point and specific volume of normal fatty acid esters,
Justus Liebigs Ann. Chem., 1886, 233, 249-315. [all data]
Vasil'ev and Petrov, 1984
Vasil'ev, I.A.; Petrov, V.M.,
Thermodynamic Properties of Oxygen-containing Organic Compounds, Handbook, Soedinenii: Khimya, Leningrad, p 240, 1984. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Ttriple Triple point temperature ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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