- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: KEBDNKNVCHQIJU-UHFFFAOYSA-N
- CAS Registry Number: 589-59-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Butanoic acid, 3-methyl-, 2-methylpropyl ester; Isovaleric acid, isobutyl ester; 2-Methylpropyl isovalerate; 2-Methylpropyl 3-methylbutyrate; Isobutyl 3-methylpropanoate; Isobutyl isopentanoate; Isobutyl 3-methylbutanoate; 2-Methylpropyl 3-methylbutanoate; NSC 6993
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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
|Tboil||444.35||K||N/A||Lecat, 1943||Uncertainty assigned by TRC = 0.3 K; TRC|
|Tboil||441.9||K||N/A||Lecat, 1927||Uncertainty assigned by TRC = 0.5 K; TRC|
|Tboil||168.1||K||N/A||Munch, 1926||Uncertainty assigned by TRC = 0.3 K; TRC|
|Tc||621.40||K||N/A||Brown, 1906||Uncertainty assigned by TRC = 6. K; TRC|
Enthalpy of vaporization
|vapH (kJ/mol)||Temperature (K)||Method||Reference||Comment|
|47.3||304.||A||Stephenson and Malanowski, 1987||Based on data from 289. - 442. K. See also Stull, 1947.; AC|
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
|289. - 441.9||4.6985||1886.088||-40.071||Stull, 1947||Coefficents calculated by NIST from author's data.|
Go To: Top, Phase change data, Notes
Lecat, M., Azeotropes of Ethyl Urethane and other Azeotropes, C. R. Hebd. Seances Acad. Sci., 1943, 217, 273. [all data]
Lecat, M., New binary azeotropes: 6th list, Ann. Soc. Sci. Bruxelles, Ser. B, 1927, 47, 63-71. [all data]
Munch, J.C., The Refractometric Determination of Alcohols and Esters in Aqueous and in Cottonseed Oil Solutions, J. Am. Chem. Soc., 1926, 48, 994-1003. [all data]
Brown, J.C., The critical temperature and value of ml/theta of some carbon compounds, J. Chem. Soc., Trans., 1906, 89, 311. [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, 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]
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature vapH Enthalpy of vaporization
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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