Nonanoic acid, ethyl ester
- Formula: C11H22O2
- Molecular weight: 186.2912
- IUPAC Standard InChI: InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
- IUPAC Standard InChIKey: BYEVBITUADOIGY-UHFFFAOYSA-N
- CAS Registry Number: 123-29-5
- 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: Ethyl nonanoate; Ethyl nonylate; Ethyl pelargonate; Wine ether; Ethyl n-nonanoate
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Condensed phase thermochemistry data
Go To: Top, 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 | -653.9 ± 2.1 | kJ/mol | Cm | Wiberg and Waldron, 1991 | Heat of hydrolysis |
Phase change 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 500.15 | K | N/A | Strating, Backer, et al., 1936 | Uncertainty assigned by TRC = 1. K; TRC |
| Tboil | 500.15 | K | N/A | Deffet, 1931 | Uncertainty assigned by TRC = 1. K; TRC |
| Tboil | 500.15 | K | N/A | Perkin, 1884 | Uncertainty assigned by TRC = 2. K; TRC |
| Tboil | 490.15 | K | N/A | Cahours, 1850 | Uncertainty assigned by TRC = 8. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 228.70 | K | N/A | Timmermans, 1922 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tc | 663.9 | K | N/A | Young, 1994 | Uncertainty assigned by TRC = 3. K; TRC |
| Tc | 673.96 | K | N/A | Brown, 1906 | Uncertainty assigned by TRC = 6. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 64. ± 1. | kJ/mol | V | Wiberg and Waldron, 1991 | Heat of hydrolysis; ALS |
| ΔvapH° | 63.9 | kJ/mol | N/A | Wiberg and Waldron, 1991 | DRB |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 392.2 | 0.031 | Aldrich Chemical Company Inc., 1990 | BS |
References
Go To: Top, 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]
Strating, Backer, et al., 1936
Strating, J.; Backer, H.J.; Lolkema, J.; Benninga, N.,
Prep. of Several Crystalline Aliphatic Hydrocarbons in the Pure State,
Recl. Trav. Chim. Pays-Bas, 1936, 55, 903-14. [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]
Perkin, 1884
Perkin, W.H.,
On the Magnetic Rotary Polarisation of Compounds in Relation to their Chemical Consitution; with Observations on the Preparation and Relative Densities of the Bodies Examined,
J. Chem. Soc., 1884, 45, 421-580. [all data]
Cahours, 1850
Cahours, A.,
Researches on Pelargonic Acid,
J. Chem. Soc., 1850, 3, 240. [all data]
Timmermans, 1922
Timmermans, J.,
Investigation of the Freezing Point of Organic Substances VII,
Bull. Soc. Chim. Belg., 1922, 31, 389. [all data]
Young, 1994
Young, C.L.,
Personal Commun. 1994 1994, 1994. [all data]
Brown, 1906
Brown, J.C.,
The critical temperature and value of ml/theta of some carbon compounds,
J. Chem. Soc., Trans., 1906, 89, 311. [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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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