Benzene, 1,4-bis(trifluoromethyl)-
- Formula: C8H4F6
- Molecular weight: 214.1078
- IUPAC Standard InChI: InChI=1S/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H
- IUPAC Standard InChIKey: PDCBZHHORLHNCZ-UHFFFAOYSA-N
- CAS Registry Number: 433-19-2
- 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: p-Xylene, α,α,α,α',α',α'-hexafluoro-; α,α,α,α',α',α'-Hexafluoro-p-xylene; p-Bis(trifluoromethyl)benzene; Hexafluoro-p-xylene; 1,4-Bis(trifluoromethyl)benzene; 1,4-di(Trifluoromethyl)benzene; p-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-; alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-p-xylene; p-Trifluoromethylbenzotrifluoride; NSC 61992
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Gas phase ion energetics 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 as indicated in comments:
B - John E. Bartmess
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.43 ± 0.05 | EI | Gallegos and Klaver, 1967 | RDSH |
De-protonation reactions
C8H3F6- + =
By formula: C8H3F6- + H+ = C8H4F6
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1570. ± 13. | kJ/mol | G+TS | Schlosser, Mongin, et al., 1998 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1534. ± 13. | kJ/mol | IMRE | Schlosser, Mongin, et al., 1998 | gas phase; B |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gallegos and Klaver, 1967
Gallegos, E.J.; Klaver, R.F.,
Automatic voltage scanner for a peak switching mass spectrometer,
J.Sci. Instr., 1967, 44, 427. [all data]
Schlosser, Mongin, et al., 1998
Schlosser, M.; Mongin, F.; Porwisiak, J.; Dmowski, W.; Buker, H.H.; Nibbering, N.M.M.,
Bis- and Oligo(trifluoromethyl)benzenes: Hydrogen/Metal Exchange Rates and Gas-Phase Acidities.,
Chem. Eur. J., 1998, 4, 7, 1281, https://doi.org/10.1002/(SICI)1521-3765(19980710)4:7<1281::AID-CHEM1281>3.0.CO;2-I
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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