Heptanoic acid
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChI: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
- 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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Gas 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 by: Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -536.5 ± 1.7 | kJ/mol | Ccb | Adriaanse, Dekker, et al., 1965 | Value computed using ΔfHliquid° from Adriaanse, Dekker, et al., 1965 and ΔvapH° value of 72. kJ/mol from Kruif and Oonk, 1979. |
| ΔfH°gas | -539.5 ± 1.6 | kJ/mol | N/A | Lebedeva, 1964 | Value computed using ΔfHliquid° value of -611.49±0.59 kj/mol from Lebedeva, 1964 and ΔvapH° value of 72±1.5 kj/mol from missing citation. |
| ΔfH°gas | -539.5 ± 1.6 | kJ/mol | Ccb | Lebedeva, 1964 | Value computed using ΔfHliquid° from Lebedeva, 1964 and ΔvapH° value of 72. kJ/mol from Kruif and Oonk, 1979. |
Gas phase ion energetics 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 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, Gas 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]
Kruif and Oonk, 1979
Kruif, C.G.; Oonk, H.A.J.,
Enthalpies of vaporization and vapour pressures of seven aliphatic carboxylic acids,
J. Chem. Thermodyn., 1979, 11, 287-290. [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]
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, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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