Pentanoic acid
- Formula: C5H10O2
- Molecular weight: 102.1317
- IUPAC Standard InChI: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
- IUPAC Standard InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
- CAS Registry Number: 109-52-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Valeric acid; n-Pentanoic acid; n-Valeric acid; Propylacetic acid; Valerianic acid; 1-Butanecarboxylic acid; n-C4H9COOH; Butanecarboxylic acid; Kyselina valerova; Valeric acid, normal; 1-Pentanoic acid; NSC 406833; Valeric acid, n-; NA 1760
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, References, Notes
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:
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -491. ± 20. | kJ/mol | AVG | N/A | Average of 8 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 439.82 ± 0.63 | J/mol*K | N/A | McDougall L.A., 1965 | GT |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, References, Notes
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:
DRB - Donald R. Burgess, Jr.
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 | -558.9 ± 0.7 | kJ/mol | Ccb | Adriaanse, Dekker, et al., 1965 | DRB |
| ΔfH°liquid | -560.24 ± 0.67 | kJ/mol | Ccb | Lebedeva, 1964 | ALS |
| ΔfH°liquid | -560.2 ± 0.7 | kJ/mol | Ccb | Lebedeva, 1964 | DRB |
| ΔfH°liquid | -546.6 ± 5.9 | kJ/mol | Ccb | Hancock, Watson, et al., 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -548. kJ/mol; ALS |
| ΔfH°liquid | -563.3 ± 1.3 | kJ/mol | Ccb | Schjanberg, 1937 | DRB |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -2837.8 ± 0.7 | kJ/mol | Ccb | Adriaanse, Dekker, et al., 1965 | Corresponding ΔfHºliquid = -558.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -2836.5 ± 0.67 | kJ/mol | Ccb | Lebedeva, 1964 | Corresponding ΔfHºliquid = -560.15 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -2850.1 ± 5.9 | kJ/mol | Ccb | Hancock, Watson, et al., 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -2850. kJ/mol; Corresponding ΔfHºliquid = -546.56 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -2833.4 ± 1.3 | kJ/mol | Ccb | Schjanberg, 1937 | Reanalyzed by Cox and Pilcher, 1970, Original value = -2831. ± 4.2 kJ/mol; At 20 C; Corresponding ΔfHºliquid = -563.29 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 259.83 | J/mol*K | N/A | McDougall and Kilpatrick, 1965 | DH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2838.8 | kJ/mol | Ccb | Skuratov and Bonetskaya, 1966 | Corresponding ΔfHºsolid = -557.94 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 197. | 298.15 | Konicek and Wadso, 1971 | DH |
| 210.33 | 298.15 | McDougall and Kilpatrick, 1965 | T = 15 to 300 K.; DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
McDougall L.A., 1965
McDougall L.A.,
Entropy and related thermodynamic properties of n-valeric acid,
J. Chem. Phys., 1965, 42, 2307-2310. [all data]
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]
Lebedeva, 1964
Lebedeva, N.D.,
Heats of combustion of monocarboxylic acids,
Russ. J. Phys. Chem. (Engl. Transl.), 1964, 38, 1435-1437. [all data]
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]
Schjanberg, 1937
Schjanberg, E.,
Die verbrennungswarmen und die refraktionsdaten einiger pentensaureeste,
Z. Phys. Chem., 1937, 178, 274-281. [all data]
McDougall and Kilpatrick, 1965
McDougall, L.A.; Kilpatrick, J.E.,
Entropy and related thermodynamic properties of n-valeric acid,
J. Chem. Phys., 1965, 42, 2307-2310. [all data]
Skuratov and Bonetskaya, 1966
Skuratov, S.M.; Bonetskaya, A.K.,
Enthalpy of formation of amide bonds,
Polym. Sci. USSR (Engl. Transl.), 1966, 8, 1754-1757. [all data]
Konicek and Wadso, 1971
Konicek, J.; Wadso, I.,
Thermochemical properties of some carboxylic acids, amines and N-substituted amides in aqueous solution,
Acta Chem. Scand., 1971, 25, 1541-1551. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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