Hexanoic acid
- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChI: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
- IUPAC Standard InChIKey: FUZZWVXGSFPDMH-UHFFFAOYSA-N
- CAS Registry Number: 142-62-1
- 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: Caproic acid; n-Caproic acid; n-Hexanoic acid; n-Hexoic acid; n-Hexylic acid; Butylacetic acid; Capronic acid; Hexoic acid; Pentiformic acid; Pentylformic acid; 1-Pentanecarboxylic acid; CH3(CH2)4COOH; Pentane-1-carboxylic acid; 1-Hexanoic acid; Hexacid 698; Kyselina kapronova; Pentanecarboxylic acid; NSC 8266
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Condensed phase thermochemistry data
Go To: Top, 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:
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 | -139.04 ± 0.25 | kcal/mol | Ccb | Fenwick, Harrop, et al., 1978 | ALS |
| ΔfH°liquid | -139.48 ± 0.18 | kcal/mol | Ccb | Adriaanse, Dekker, et al., 1965 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
| ΔfH°liquid | -139.98 ± 0.13 | kcal/mol | Ccb | Lebedeva, 1964 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -835.16 ± 0.16 | kcal/mol | Ccb | Fenwick, Harrop, et al., 1978 | Corresponding ΔfHºliquid = -139.04 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -834.7 ± 0.1 | kcal/mol | Ccb | Adriaanse, Dekker, et al., 1965 | Corresponding ΔfHºliquid = -139.5 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -834.23 ± 0.13 | kcal/mol | Ccb | Lebedeva, 1964 | Corresponding ΔfHºliquid = -139.97 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -840.8 | kcal/mol | Ccb | Fischer and Wrede, 1904 | Heat of combustion corrected for pressure; Corresponding ΔfHºliquid = -133.4 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -841.97 | kcal/mol | Ccb | Lemoult, 1904 | Corresponding ΔfHºsolid = -132.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 53.80 | 298. | von Reis, 1881 | T = 292 to 483 K.; DH |
References
Go To: Top, 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.
Fenwick, Harrop, et al., 1978
Fenwick, J.O.; Harrop, D.; Head, A.J.,
Thermodynamic properties of organic oxygen compounds. 46. Enthalpies of formation of ethyl acetate and 1-hexanoix acid,
J. Chem. Thermodyn., 1978, 10, 687-690. [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]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]
Fischer and Wrede, 1904
Fischer, E.; Wrede, F.,
Uber die Verbrennungswarme einiger organischer Verbindungen,
Sitzungsber. Dtsch. Akad. Wiss. Berlin Kl. Math. Phys. Tech., 1904, 687-715. [all data]
Lemoult, 1904
Lemoult, M.P.,
Remarques sur une serie recenie de determinations calorimetriques,
Compt. Rend., 1904, 663-635. [all data]
von Reis, 1881
von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
Ann. Physik [3], 1881, 13, 447-464. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔcH°solid Enthalpy of combustion of solid 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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