Butanoic acid, 2-methyl-, methyl ester
- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChIKey: OCWLYWIFNDCWRZ-UHFFFAOYSA-N
- CAS Registry Number: 868-57-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Isotopologues:
- Other names: Butyric acid, 2-methyl-, methyl ester; Methyl α-methylbutanoate; Methyl α-methylbutyrate; Methyl 2-methylbutanoate; Methyl 2-methylbutyrate; 2-Methylbutanoic acid, methyl ester; dl-2-Methylbutyric acid methyl ester; Methyl ester of 2-methyl-butanoic acid; 2-Methylbutyric acid, methyl ester; Butyric acid, α-methyl-, methyl ester; 53955-81-0; 2-methyl(methyl butanoate)
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Phase change data
Go To: Top, Mass spectrum (electron ionization), 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 389.05 | K | N/A | Hancock, Watson, et al., 1954 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tboil | 388. | K | N/A | Liu, 1952 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10.0 ± 0.3 | kcal/mol | E | Hancock, Watson, et al., 1954, 2 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
ΔvapH° | 9.99 | kcal/mol | N/A | Hancock, Watson, et al., 1954, 2 | DRB |
Mass spectrum (electron ionization)
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-1204 |
NIST MS number | 230745 |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Liu, 1952
Liu, S.-L.,
Fatty Acids from Lanolin, Essays and Papers in Memory of Late President Fu Ssu-Nien 199-213 1952, 1952. [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]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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