Octanoic acid, ethyl ester
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChI: InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
- IUPAC Standard InChIKey: YYZUSRORWSJGET-UHFFFAOYSA-N
- CAS Registry Number: 106-32-1
- 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. - Isotopologues:
- Other names: Ethyl caprylate; Ethyl octanoate; Ethyl octoate; Ethyl n-octanoate; Caprylic acid ethyl ester; n-Caprylic acid ethyl ester; Ethyl octylate; Ethyl ester of octanoic acid; octanoic acid ethyl ester (ethyl octanoate); Ethyl ester octanoic acid
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Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 480.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Tboil | 479.0 | K | N/A | Gartenmeister, 1886 | Uncertainty assigned by TRC = 2. K; TRC |
| Tboil | 487. | K | N/A | Fehling, 1845 | Uncertainty assigned by TRC = 5. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 228.40 | K | N/A | Timmermans, 1922 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tc | 649. | K | N/A | Young, 1994 | Uncertainty assigned by TRC = 3. K; TRC |
| Tc | 658.71 | K | N/A | Brown, 1906 | Uncertainty assigned by TRC = 6. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 59. ± 1. | kJ/mol | V | Wiberg and Waldron, 1991 | Heat of hydrolysis; ALS |
| ΔvapH° | 59.5 | kJ/mol | N/A | Wiberg and Waldron, 1991 | DRB |
| ΔvapH° | 59.5 ± 1.3 | kJ/mol | EB | Wiberg and Waldron, 1991 | Based on data from 382. to 412. K.; AC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 52.5 ± 0.2 | 397. | EB | Wiberg and Waldron, 1991 | Based on data from 382. to 412. K.; AC |
| 53.2 | 345. | A | Stephenson and Malanowski, 1987 | Based on data from 330. to 480. K.; AC |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Gartenmeister, 1886
Gartenmeister, R.,
Investigation of the physical characterstics of liquid compounds: vi boiling point and specific volume of normal fatty acid esters,
Justus Liebigs Ann. Chem., 1886, 233, 249-315. [all data]
Fehling, 1845
Fehling, H.,
Acids of Coconut Oil,
Justus Liebigs Ann. CHem., 1845, 53, 399-411. [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]
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]
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, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point 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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