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
View 3d structure (requires JavaScript / HTML 5) - Other names: Butanoic acid, 3-chloro-, methyl ester; Methyl 3-chlorobutanoate; Methyl 3-chlorobutyrate
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- Other data available:
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Kovats' RI, non-polar column, isothermal
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-30 | SE-30 | SE-30 | OV-101 | OV-101 |
| Column length (m) | 25. | 25. | 25. | 25. | 25. |
| Carrier gas | N2 | N2 | N2 | N2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.33 | 0.33 | 0.33 | 0.3 | 0.3 |
| Phase thickness (μm) | |||||
| Temperature (C) | 100. | 120. | 80. | 100. | 120. |
| I | 881. | 870. | 873. | 864. | 859. |
| Reference | Haken and Korhonen, 1985 | Haken and Korhonen, 1985 | Haken and Korhonen, 1985 | Haken and Korhonen, 1984 | Haken and Korhonen, 1984 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | OV-101 |
| Column length (m) | 25. |
| Carrier gas | N2 |
| Substrate | |
| Column diameter (mm) | 0.3 |
| Phase thickness (μm) | |
| Temperature (C) | 80. |
| I | 869. |
| Reference | Haken and Korhonen, 1984 |
| Comment | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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, Kovats' RI, non-polar column, isothermal, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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