Butanoic acid, 3-methyl-, ethyl ester
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChIKey: PPXUHEORWJQRHJ-UHFFFAOYSA-N
- CAS Registry Number: 108-64-5
- 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: Isovaleric acid, ethyl ester; Ethyl isovalerate; Ethyl 3-methylbutanoate; Ethyl 3-methylbutyrate; 3-Methylbutanoic acid ethyl ester; (CH3)2CHCH2C(O)OC2H5; Ethyl iso-pentanoate; Butyric acid, 3-methyl-, ethyl ester; ethyl 3-methylbutanoate (ethyl isovalerate); 3-methyl butyric acid ethyl ester
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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 | 405.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 407.9 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 408.55 | K | N/A | Hancock, Watson, et al., 1954 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tboil | 407.9 | K | N/A | Lecat, 1927 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 407.9 | K | N/A | Lecat, 1927, 2 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 582.4 | K | N/A | Young, 1994 | Uncertainty assigned by TRC = 0.6 K; TRC |
Tc | 588.02 | K | N/A | Brown, 1906 | Uncertainty assigned by TRC = 6. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10.5 ± 0.3 | kcal/mol | V | Hancock, Watson, et al., 1954, 2 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
ΔvapH° | 10.5 | kcal/mol | N/A | Hancock, Watson, et al., 1954, 2 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
10.2 | 316. | A | Stephenson and Malanowski, 1987 | Based on data from 301. to 418. K.; AC |
10.6 | 282. | N/A | Stull, 1947 | Based on data from 267. to 407. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
267.1 to 407.5 | 4.65392 | 1711.933 | -39.809 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
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]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Hancock, Watson, et al., 1954
Hancock, C.K.; Watson, G.M.; Gilby, R.F.,
Heats of Combustion of Five-Carbon Fatty Acids and Their Methyl and Ethyl Esters,
J. Phys. Chem., 1954, 58, 127. [all data]
Lecat, 1927
Lecat, M.,
New binary azeotropes: 7th list,
Ann. Soc. Sci. Bruxelles, Ser. B, 1927, 47, 108-14. [all data]
Lecat, 1927, 2
Lecat, M.,
New binary azeotropes: 6th list,
Ann. Soc. Sci. Bruxelles, Ser. B, 1927, 47, 63-71. [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]
Hancock, Watson, et al., 1954, 2
Hancock, C.K.; Watson, G.M.; Gilby, R.F.,
Heats of combustion of five-carbon fatty acids and their methyl and ethyl esters,
J. Phys. Chem., 1954, 58, 127-129. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature 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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