Pentafluorobenzoic acid, benzyl ester
- Formula: C14H7F5O2
- Molecular weight: 302.1962
- IUPAC Standard InChI: InChI=1S/C14H7F5O2/c15-9-8(10(16)12(18)13(19)11(9)17)14(20)21-6-7-4-2-1-3-5-7/h1-5H,6H2
- IUPAC Standard InChIKey: WLPUFAZAMBXLPF-UHFFFAOYSA-N
- CAS Registry Number: 104856-46-4
- 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: Benzyl 2,3,4,5,6-pentafluorobenzoate; Benzoic acid, pentafluoro-, phenylmethyl ester; Benzenemethanol, pentafluorobenzoate
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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 | 180. | 1583. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-351 | 180. | 2180. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1613. | Liang, 2010 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
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.
Korhonen, 1986
Korhonen, I.O.O.,
Gas-Liquid Chromatographic Analyses. XLVIII. Benzyl, (±)-1-Phenylethyl and 2-Phenylethyl Alcohols and the Corresponding Esters of Benzoic Acid and Its 2-, 3- and 4-Chloro, Pentafluoro, 4-Nitro and 3,5-Dinitro Derivatives on SE-30 and OV-351 Capillary Columns,
J. Chromatogr., 1986, 363, 277-292. [all data]
Liang, 2010
Liang, Y.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2010. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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