Acetic acid, chloro-, butyl ester
- Formula: C6H11ClO2
- Molecular weight: 150.603
- IUPAC Standard InChI: InChI=1S/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3
- IUPAC Standard InChIKey: YJRGMUWRPCPLNH-UHFFFAOYSA-N
- CAS Registry Number: 590-02-3
- 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: n-Butyl chloroacetate; Butyl chloroacetate; Chloroacetic acid butyl ester; Monochloroacetic acid n-butyl ester; Chloroacetic acid n-butyl ester; 2-Chloroacetic acid, n-butyl ester
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Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -538. ± 1. | kJ/mol | Ccr | Bjellerup and Smith, 1954 | At 293 K |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -3419. ± 1. | kJ/mol | Ccr | Bjellerup and Smith, 1954 | At 293 K |
| ΔcH°liquid | -3418.3 ± 2.1 | kJ/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -3407. ± 2. kJ/mol |
| ΔcH°liquid | -3410. ± 0.3 | kJ/mol | Ccr | Smith, Bjellerup, et al., 1953 | |
| ΔcH°liquid | -3405. | kJ/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.
Bjellerup and Smith, 1954
Bjellerup, L.; Smith, L.,
Heats of combustion of some organic chloro-compounds,
Kgl. Fysiograph. Sallskap. Lund Forh., 1954, 24, 1-13. [all data]
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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