n-Decanoic acid
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChI: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
- IUPAC Standard InChIKey: GHVNFZFCNZKVNT-UHFFFAOYSA-N
- CAS Registry Number: 334-48-5
- 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: Decanoic acid; n-Capric acid; n-Decoic acid; n-Decylic acid; Capric acid; Caprinic acid; Caprynic acid; Decoic acid; Decylic acid; 1-Nonanecarboxylic acid; Nonane-1-carboxylic acid; neo-Fat 10; Hexacid 1095; Emery 659; Prifrac 296; 1-Decanoic acid; NSC 5025; Decanoic acid (capric acid)
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Gas phase thermochemistry data
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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 | -149.2 ± 1.2 | kcal/mol | N/A | Adriaanse, Dekker, et al., 1965 | Value computed using ΔfHliquid° value of -713.7±0.9 kj/mol from Adriaanse, Dekker, et al., 1965 and ΔvapH° value of 89.5±5.0 kj/mol from n-alkanoic correlation. |
Condensed phase thermochemistry data
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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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -1453.0 ± 0.2 | kcal/mol | Ccb | Adriaanse, Dekker, et al., 1965 | Hfusion=29.4 kJ/mol; Corresponding ΔfHºliquid = -170.7 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 113.67 | 298.15 | Schaake, van Miltenburg, et al., 1982 | T = 80 to 345 K.; DH |
| 86.30 | 285. | Garner and Randall, 1924 | T = 0 to 65°C. Mean value 0 to 24°C.; DH |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C10H19O2- + =
By formula: C10H19O2- + H+ = C10H20O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 338.8 ± 2.0 | kcal/mol | TDEq | Norrman and McMahon, 1999 | gas phase; Folded form; dSacid = 7.2 eu |
| ΔrH° | 346.1 ± 2.0 | kcal/mol | TDEq | Norrman and McMahon, 1999 | gas phase; Unfolded form |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 336.7 ± 2.1 | kcal/mol | H-TS | Norrman and McMahon, 1999 | gas phase; Folded form; dSacid = 7.2 eu |
| ΔrG° | 338.8 ± 2.1 | kcal/mol | H-TS | Norrman and McMahon, 1999 | gas phase; Unfolded form |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry 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]
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]
Norrman and McMahon, 1999
Norrman, K.; McMahon, T.B.,
Intramolecular solvation of carboxylate anions in the gas phase,
J. Phys. Chem. A, 1999, 103, 35, 7008-7016, https://doi.org/10.1021/jp9908202
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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