Heptanoic acid
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChIKey: MNWFXJYAOYHMED-UHFFFAOYSA-N
- CAS Registry Number: 111-14-8
- 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: Enanthic acid; n-Heptanoic acid; n-Heptoic acid; n-Heptylic acid; Enanthylic acid; Heptoic acid; Heptylic acid; Oenanthic acid; Oenanthylic acid; 1-Hexanecarboxylic acid; Hepthlic acid; Hexacid C-7; 1-Heptanoic acid; NSC 2192
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Condensed phase thermochemistry data
Go To: Top, Gas phase ion energetics 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 | -145.4 ± 0.2 | kcal/mol | Ccb | Adriaanse, Dekker, et al., 1965 | DRB |
ΔfH°liquid | -146.15 ± 0.14 | kcal/mol | Ccb | Lebedeva, 1964 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -991.1 ± 0.2 | kcal/mol | Ccb | Adriaanse, Dekker, et al., 1965 | Corresponding ΔfHºliquid = -145.4 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -990.43 ± 0.14 | kcal/mol | Ccb | Lebedeva, 1964 | Corresponding ΔfHºliquid = -146.13 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 77.283 | cal/mol*K | N/A | Labban and Westrum, 1991 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
63.889 | 298.15 | Labban and Westrum, 1991 | T = 5 to 350 K.; DH |
63.439 | 298.15 | Schaake, van Miltenburg, et al., 1982 | T = 80 to 305 K.; DH |
Gas phase ion energetics 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H4O2+ | 10.54 ± 0.05 | C5H10 | EI | Holmes and Lossing, 1980 | |
C2H4O2+ | 10.54 | 1-C5H10 | EI | Holmes and Lossing, 1980, 2 |
References
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Labban and Westrum, 1991
Labban, A.K.; Westrum,
E.F., Heat capacity and thermophysical properties of n-heptanoic acid from 5 to 350 K,
Can. J. Chem., 1991, 69(11), 1796-1803. [all data]
Schaake, van Miltenburg, et al., 1982
Schaake, R.C.F.; van Miltenburg, J.C.; De Kruif, C.G.,
Thermodynamic properties of the normal alkanoic acids. I. Molar heat capacities of seven odd-numbered normal alkanoic acids,
J. Chem. Thermodynam., 1982, 14, 763-769. [all data]
Holmes and Lossing, 1980
Holmes, J.L.; Lossing, F.P.,
Thermochemistry and unimolecular reactions of ionized acetic acid and its enol in the gas phase.,
J. Am. Chem. Soc., 1980, 102, 3732. [all data]
Holmes and Lossing, 1980, 2
Holmes, J.L.; Lossing, F.P.,
Gas-phase heats of formation of keto and enol ions of carbonyl compounds.,
J. Am. Chem. Soc., 1980, 102, 1591. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid 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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