Butanoic acid, 2-chloro-, propyl ester
- Formula: C7H13ClO2
- Molecular weight: 164.630
- IUPAC Standard InChI: InChI=1S/C7H13ClO2/c1-3-5-10-7(9)6(8)4-2/h6H,3-5H2,1-2H3
- IUPAC Standard InChIKey: NZHZYDSYLLWKOK-UHFFFAOYSA-N
- CAS Registry Number: 62108-71-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Propyl 2-chlorobutanoate; n-Propyl-2-chlorobutyrate
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Gas 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°gas | -138.3 ± 2.3 | kcal/mol | Ccb | Smith, Bjellerup, et al., 1953 | Heat of formation derived by Cox and Pilcher, 1970 |
Gas Chromatography
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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: 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. | 1037. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 120. | 1032. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 80. | 1029. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
References
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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]
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]
Notes
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- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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