Decanoic acid, ethyl ester
- Formula: C12H24O2
- Molecular weight: 200.3178
- IUPAC Standard InChIKey: RGXWDWUGBIJHDO-UHFFFAOYSA-N
- CAS Registry Number: 110-38-3
- 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: Capric acid, ethyl ester; Ethyl caprate; Ethyl caprinate; Ethyl decanoate; Ethyl decylate; n-Capric acid ethyl ester; Ethyl ester of decanoic acid; Ethyl n-decanoate; NSC 8909
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -612. ± 2. | kJ/mol | Cm | Wiberg and Waldron, 1991 | Heat of hydrolysis |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -679.6 ± 1.1 | kJ/mol | Cm | Wiberg and Waldron, 1991 | Heat of hydrolysis |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -7448. ± 1. | kJ/mol | Ccb | Freedman, Bagby, et al., 1989 | Corresponding ΔfHºliquid = -704.6 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Gas phase thermochemistry data, 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 518.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 514.7 | K | N/A | Vogel, 1948 | Uncertainty assigned by TRC = 1. K; TRC |
Tboil | 518.05 | K | N/A | Deffet, 1931 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 70.5 | kJ/mol | N/A | Zaitsau, Paulechka, et al., 2009 | AC |
ΔvapH° | 67. ± 1. | kJ/mol | V | Wiberg and Waldron, 1991 | Heat of hydrolysis; ALS |
ΔvapH° | 67.6 | kJ/mol | N/A | Wiberg and Waldron, 1991 | DRB |
ΔvapH° | 67.4 ± 1.3 | kJ/mol | MM | Wiberg and Waldron, 1991 | Based on data from 404. to 440. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
69.9 ± 0.7 | 305. | C | Zaitsau, Paulechka, et al., 2009 | AC |
58.4 ± 0.1 | 422. | MM | Wiberg and Waldron, 1991 | Based on data from 404. to 440. K.; AC |
59.6 | 374. | A | Stephenson and Malanowski, 1987 | Based on data from 359. to 515. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
32.29 | 253.6 | AC | Zaitsau, Paulechka, et al., 2009 | Based on data from 5. to 370. K.; AC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg and Waldron, 1991
Wiberg, K.B.; Waldron, R.F.,
Lactones. 2. Enthalpies of hydrolysis, reduction, and formation of the C4-C13 monocyclic lactones. strain energies and conformations,
J. Am. Chem. Soc., 1991, 113, 7697-7705. [all data]
Freedman, Bagby, et al., 1989
Freedman, B.; Bagby, M.O.; Khoury, H.,
Correlation of heats of combustion with empirical formulas for fatty alcohols,
J. Am. Oil Chem. Soc., 1989, 66, 595-596. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Vogel, 1948
Vogel, A.I.,
J. Chem. Soc., 1948, 1948, 624-44. [all data]
Deffet, 1931
Deffet, L.,
The Freezing Points of Organic Compounds XIII. Compounds With Seven Eight, Nine or Ten Carbon Atoms,
Bull. Soc. Chim. Belg., 1931, 40, 385-402. [all data]
Zaitsau, Paulechka, et al., 2009
Zaitsau, Dzmitry H.; Paulechka, Yauheni U.; Blokhin, Andrey V.; Yermalayeu, Andrei V.; Kabo, Andrei G.; Ivanets, Maryna R.,
Thermodynamics of Ethyl Decanoate,
J. Chem. Eng. Data, 2009, 54, 11, 3026-3033, https://doi.org/10.1021/je900093h
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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