1-Fluoro-3-(trifluoro-methyl)benzene
- Formula: C7H4F4
- Molecular weight: 164.1003
- IUPAC Standard InChI: InChI=1S/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
- IUPAC Standard InChIKey: GBOWGKOVMBDPJF-UHFFFAOYSA-N
- CAS Registry Number: 401-80-9
- 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: m-Fluorobenzotrifluoride; 3-Fluorobenzotrifluoride; Benzene, 1-fluoro-3-(trifluoromethyl)-; m,α,α,α-Tetrafluorotoluene; Toluene, α,α,α-m-tetrafluoro-; Toluene, m,α,α,α-tetrafluoro-; Trifluoromethyl-3-fluorobenzene; 1-(Trifluoromethyl)-3-fluorobenzene; m,alpha,alpha,alpha-Tetrafluorotoluene; 3-Fluoro(trifluoromethyl)benzene; α,α,α,3-Tetrafluorotoluene; Benzene, 1-fluoromethyl-3-trifluoromethyl
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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 | -189.35 ± 0.26 | kcal/mol | Ccr | Good, Douslin, et al., 1959 | Reanalyzed by Cox and Pilcher, 1970, Original value = -184.17 kcal/mol |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, IR Spectrum, 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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 861. | Zenkevich, Eliseenkov, et al., 2006 | Nitrogen, 6. K/min, 240. C @ 10. min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 60. C |
| Capillary | OV-101 | 861. | Zenkevich, Makarov, et al., 2005 | 25. m/0.25 mm/0.20 μm, Nitrogen, 60. C @ 0. min, 8. K/min, 240. C @ 0. min |
References
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Good, Douslin, et al., 1959
Good, W.D.; Douslin, D.R.; Scott, D.W.; George, A.; Lacina, J.L.; Dawson, J.P.; Waddington, G.,
Thermochemistry and vapor pressure of aliphatic fluorocarbons. A comparison of the C-F and C-H thermochemical bond energies,
J. Phys. Chem., 1959, 63, 1133-1138. [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]
Zenkevich, Eliseenkov, et al., 2006
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N.,
Application of Retention Indices in GC-MS Identification of Halogenated Organic Compounds,
Mass Spectromery (Rus.), 2006, 3, 2, 131-140. [all data]
Zenkevich, Makarov, et al., 2005
Zenkevich, I.G.; Makarov, A.A.; Eliseenkov, E.V.,
The XXIX Symposium Chromatographic Methods of Investigating the Organic Compounds. Book of Abstracts, Retention indices of some fluorinated arenes C7-C9 on polar inorganic sorbents. Unusual behavior of Silipor 600, Institute of Chemistry, Silesian University, Katowice, Poland, 2005, 43. [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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