Benzene, 1,4-bis(trifluoromethyl)-
- Formula: C8H4F6
- Molecular weight: 214.1078
- 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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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual 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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1534. ± 13. | kJ/mol | IMRE | Schlosser, Mongin, et al., 1998 | gas phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, References, Notes
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, Reaction thermochemistry data, 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.
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]
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]
Notes
Go To: Top, Reaction thermochemistry data, 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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