Octanoic acid
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChI: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
- IUPAC Standard InChIKey: WWZKQHOCKIZLMA-UHFFFAOYSA-N
- CAS Registry Number: 124-07-2
- 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: n-Caprylic acid; n-Octanoic acid; n-Octoic acid; n-Octylic acid; Neo-Fat 8; Caprylic acid; Enantic acid; Octylic acid; 1-Heptanecarboxylic acid; Heptane-1-carboxylic acid; Octic acid; Hexacid 898; C-8 Acid; Kyselina kaprylova; Lunac 8-95; Emery 657; Octoic acid; Prifac 2901; 1-Octanoic acid; NSC 5024; Prifrac 2901
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Condensed phase thermochemistry data
Go To: Top, Mass spectrum (electron ionization), 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 | -634.8 ± 0.8 | kJ/mol | Ccb | Adriaanse, Dekker, et al., 1965 | estimated uncertainty; DRB |
| ΔfH°liquid | -636.89 ± 0.54 | kJ/mol | Ccb | Lebedeva, 1964 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4799.9 ± 0.8 | kJ/mol | Ccb | Adriaanse, Dekker, et al., 1965 | Corresponding ΔfHºliquid = -634.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -4797.92 ± 0.54 | kJ/mol | Ccb | Lebedeva, 1964 | Corresponding ΔfHºliquid = -636.80 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 |
|---|---|---|---|
| 297.92 | 298.15 | Schaake, van Miltenburg, et al., 1982 | T = 80 to 300 K.; DH |
| 304.6 | 305. | Garner and Randall, 1924 | T = 0 to 46 C. Mean value 18 to 46 C.; DH |
Mass spectrum (electron ionization)
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 1998. |
| NIST MS number | 291498 |
References
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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]
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. II. Molar heat capacities of seven even-numbered normal alkanoic acids,
J. Chem. Thermodynam., 1982, 14, 771-778. [all data]
Garner and Randall, 1924
Garner, W.E.; Randall, F.C.,
Alternation in the heats of crystallization of the normal monobasic fatty acids. Part I.,
J. Chem. Soc., 1924, 125, 881-896. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid 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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