CH3CHClCH2C(O)OCH3
- Formula: C5H9ClO2
- Molecular weight: 136.577
- IUPAC Standard InChI: InChI=1S/C5H9ClO2/c1-4(6)3-5(7)8-2/h4H,3H2,1-2H3
- IUPAC Standard InChIKey: HDQHWBXUKZBPDN-UHFFFAOYSA-N
- CAS Registry Number: 817-76-5
- 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: Butanoic acid, 3-chloro-, methyl ester; Methyl 3-chlorobutanoate; Methyl 3-chlorobutyrate
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Condensed phase thermochemistry data
Go To: Top, Gas Chromatography, 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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -653.7 | kcal/mol | Ccb | Schjanberg, 1935 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 100. | 881. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 120. | 870. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 80. | 873. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | OV-101 | 100. | 864. | Haken and Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
| Capillary | OV-101 | 120. | 859. | Haken and Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
| Capillary | OV-101 | 80. | 869. | Haken and Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
References
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Haken and Korhonen, 1985
Haken, J.K.; Korhonen, I.O.O.,
Gas chromatography of homologous esters. XXVIII. Retention increments of aliphatic C1-C18 n-alkyl esters of butanoic acid and its monochloro derivatives on SE-30 and OV-351 capillary columns,
J. Chromatogr., 1985, 320, 2, 325-334, https://doi.org/10.1016/S0021-9673(01)90510-2
. [all data]
Haken and Korhonen, 1984
Haken, J.K.; Korhonen, I.O.O.,
Gas chromatography of homologous esters. XXIV. Studies of chlorinated methyl propanoates and butanoates on a non-polar capillary column,
J. Chromatogr., 1984, 284, 474-477, https://doi.org/10.1016/S0021-9673(01)87849-3
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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