Dichloroacetic acid 3-methylbutyl ester
- Formula: C7H12Cl2O2
- Molecular weight: 199.075
- IUPAC Standard InChI: InChI=1S/C7H12Cl2O2/c1-5(2)3-4-11-7(10)6(8)9/h5-6H,3-4H2,1-2H3
- IUPAC Standard InChIKey: UQQSGXRKRFDREY-UHFFFAOYSA-N
- CAS Registry Number: 37587-83-0
- 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: Acetic acid, dichloro, 3-methylbutyl ester; Isopentyl dichloroacetate
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Condensed phase thermochemistry data
Go To: Top, 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 | -137.5 ± 2.0 | kcal/mol | Ccb | Smith, Bjellerup, et al., 1953 | Heat of formation derived by Cox and Pilcher, 1970 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -942.1 ± 2.0 | kcal/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -940.8 ± 2.0 kcal/mol; Heat of formation derived by Cox and Pilcher, 1970 |
| ΔcH°liquid | -939.7 | kcal/mol | Ccb | Schjanberg, 1935 |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H.,
Heats of combustion of organic chloro compounds determined by the "quartz wool" method,
Acta Chem. Scand., 1953, 7, 65. [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]
Schjanberg, 1935
Schjanberg, E.,
Die Verbrennungswarmen und die Refraktionsdaten einiger chlorsubstituierter Fettsauren und Ester.,
Z. Phys. Chem. Abt. A, 1935, 172, 197-233. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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