Trichloroacetic acid, hexyl ester
- Formula: C8H13Cl3O2
- Molecular weight: 247.547
- IUPAC Standard InChI: InChI=1S/C8H13Cl3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-6H2,1H3
- IUPAC Standard InChIKey: UJGLOWVVUOBEJU-UHFFFAOYSA-N
- CAS Registry Number: 37587-86-3
- 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: Hexyl trichloroacetate
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Gas Chromatography
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 120. | 1315. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 140. | 1350. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 160. | 1358. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 180. | 1361. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 200. | 1367. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 100. | 1340. | Haken, Madden, et al., 1983 | Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | SE-30 | 140. | 1359. | Haken, Madden, et al., 1983 | Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | SE-30 | 180. | 1380. | Haken, Madden, et al., 1983 | Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | OV-101 | 80. | 1339.7 | Komárek, Hornová, et al., 1982 | N2; Column length: 15. m; Column diameter: 0.22 mm |
| Capillary | OV-101 | 200. | 1366.7 | Komárek, Hornová, et al., 1982 | N2; Column length: 15. m; Column diameter: 0.22 mm |
| Packed | SE-30 | 200. | 1372. | Golovkin, Smol'chenko, et al., 1980 | N2, Chromaton N-AW-DMCS; Column length: 1. m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-351 | 160. | 1726. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 180. | 1734. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 200. | 1766. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1353. | Peng, 2000 | 15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1741. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Haken and Korhonen, 1986
Haken, J.R.; Korhonen, I.O.O.,
Gas chromatography of homologous esters. XXXIII. Capillary chromatography of monochlorinated C1-C8 n-alkyl acetates, chloracetates, dichloroacetates and trichloroacetates,
J. Chromatogr., 1986, 357, 253-271, https://doi.org/10.1016/S0021-9673(01)95828-5
. [all data]
Haken, Madden, et al., 1983
Haken, J.K.; Madden, B.G.; Korhonen, I.O.O.,
Gas chromatography of homologous esters. XX. Capillary column studies of alkyl acetates, chloroacetates, dichloroacetates and trichloroacetates,
J. Chromatogr., 1983, 256, 221-229, https://doi.org/10.1016/S0021-9673(01)88235-2
. [all data]
Komárek, Hornová, et al., 1982
Komárek, K.; Hornová, L.; Churácek, J.,
Glass capillary gas chromatography of homologous series of esters. Separation of homologous series of esters of halogenated carboxylic acids on a glass capillary column with the non-polar stationary silicone phase OV-101,
J. Chromatogr., 1982, 244, 1, 142-147, https://doi.org/10.1016/S0021-9673(00)80131-4
. [all data]
Golovkin, Smol'chenko, et al., 1980
Golovkin, G.V.; Smol'chenko, A.I.; Zotov, L.N.; Sazonov, S.E.,
Systems of gas-chromatographic retention indices for identifying pesticides by means of selective detectors,
Zh. Anal. Khim., 1980, 35, 5, 651-655. [all data]
Peng, 2000
Peng, C.T.,
Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index,
J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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