Ethanol, 2,2,2-trichloro-, benzoate
- Formula: C9H7Cl3O2
- Molecular weight: 253.510
- IUPAC Standard InChI: InChI=1S/C9H7Cl3O2/c10-9(11,12)6-14-8(13)7-4-2-1-3-5-7/h1-5H,6H2
- IUPAC Standard InChIKey: WGXLSZQUOYSATB-UHFFFAOYSA-N
- CAS Registry Number: 37934-99-9
- 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: Trichloroethyl benzoate; Benzoic acid, 2,2,2-trichloroethyl ester; 2,2,2-Trichloroethyl benzoate
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Mass spectrum (electron ionization)
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | V.G. Zaikin, R.S.Borisov, TIPS RAS, Moscow, Russia |
| NIST MS number | 360681 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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 | 140. | 1530. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | SE-30 | 160. | 1533. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | SE-30 | 180. | 1551. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | SE-30 | 140. | 1526. | Korhonen and Lind, 1985 | |
| Capillary | SE-30 | 160. | 1536. | Korhonen and Lind, 1985 | |
| Capillary | SE-30 | 180. | 1552. | Korhonen and Lind, 1985 |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-351 | 180. | 2199. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | OV-351 | 200. | 2205. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | OV-351 | 220. | 2239. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1542. | Korhonen and Lind, 1985 | 10. K/min; Tstart: 100. C; Tend: 280. C |
| Capillary | SE-30 | 1528. | Korhonen and Lind, 1985 | 2. K/min; Tstart: 100. C; Tend: 280. C |
| Capillary | SE-30 | 1531. | Korhonen and Lind, 1985 | 6. K/min; Tstart: 100. C; Tend: 280. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-351 | 2159. | Korhonen, 1986 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 100. C; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1523. | Korhonen, 1986 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 100. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Squalane | 1530. | Chen, 2008 | Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Korhonen, 1986
Korhonen, I.O.O.,
Gas-Liquid Chromatographic Analyses. XLVII. Retention Increments of Some Lower Saturated Branched-Chain, Unsaturated and Chlorinated Esters of Benzoic, 4-Nitrobenzoic and 3,5-Dinitrobenzoic Acids on SE-30 and OV-351 Capillary Columns,
J. Chromatogr., 1986, 360, 63-78, https://doi.org/10.1016/S0021-9673(00)91652-2
. [all data]
Korhonen and Lind, 1985
Korhonen, I.O.O.; Lind, M.A.,
Gas-liquid chromatographic analyses. XLI. Ethyl and ω-chloroethyl esters of benzoic and monochlorobenzoic acids on SE-30 and OV-351 capillary columns,
J. Chromatogr., 1985, 325, 433-443, https://doi.org/10.1016/S0021-9673(00)96054-0
. [all data]
Chen, 2008
Chen, H.-F.,
Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression,
Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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