Benzenamine, 3,5-bis(trifluoromethyl)-
- Formula: C8H5F6N
- Molecular weight: 229.1224
- IUPAC Standard InChI: InChI=1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2
- IUPAC Standard InChIKey: CDIDGWDGQGVCIB-UHFFFAOYSA-N
- CAS Registry Number: 328-74-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 3,5-Bis(trifluoromethyl)aniline; 3,5-Bis(trifluoromethyl)benzenamine; α,α,α,α',α',α'-Hexafluoro-3,5-xylidine; 3,5-Xylidine, α,α,α,α',α',α'-hexafluoro-; 3,5-di(Trifluoromethyl)aniline; Aniline, 3,5-bis(trifluoromethyl)-; 3,5-Xylidine, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-; alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylidine; 3,5-Bis-trifluoromethyl-phenylamine; NSC 3411
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Phase change 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: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference |
|---|---|---|
| 358. | 0.020 | PCR Inc., 1990 |
| 358.2 | 0.020 | Weast and Grasselli, 1989 |
| 358. | 0.020 | American Tokyo Kasei, 1988 |
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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.59 | PE | Molder, Pikver, et al., 1983 | LBLHLM |
De-protonation reactions
C8H4F6N- + =
By formula: C8H4F6N- + H+ = C8H5F6N
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 347.9 ± 2.1 | kcal/mol | G+TS | Taft and Topsom, 1987 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 340.6 ± 2.0 | kcal/mol | IMRE | Taft and Topsom, 1987 | gas phase; B |
References
Go To: Top, Phase change 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.
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
American Tokyo Kasei, 1988
American Tokyo Kasei,
TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]
Molder, Pikver, et al., 1983
Molder, U.H.; Pikver, R.J.; Koppel, I.A.,
Photoelectron spectra of molecules. 4. Amines,
Org. React. Tartu, 1983, 20, 355. [all data]
Taft and Topsom, 1987
Taft, R.W.; Topsom, R.D.,
The Nature and Analysis of Substituent Effects,
Prog. Phys. Org. Chem., 1987, 16, 1. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point 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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