2-Trifluoromethyl-2-propanol
- Formula: C4H7F3O
- Molecular weight: 128.0930
- IUPAC Standard InChI: InChI=1S/C4H7F3O/c1-3(2,8)4(5,6)7/h8H,1-2H3
- IUPAC Standard InChIKey: OCGWWLDZAFOHGD-UHFFFAOYSA-N
- CAS Registry Number: 507-52-8
- 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: 2-Trifluoromethylpropanol-2; 2-Propanol, 1,1,1-trifluoro-2-methyl-; 1,1,1-trifluoro-2-methylpropan-2-ol
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Phase change 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: Robert L. Brown and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 353. to 354. | K | N/A | PCR Inc., 1990 |
Gas phase ion energetics data
Go To: Top, Phase change 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
De-protonation reactions
C4H6F3O- + =
By formula: C4H6F3O- + H+ = C4H7F3O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1507. ± 8.8 | kJ/mol | G+TS | Caldwell, McMahon, et al., 1985 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1479. ± 8.4 | kJ/mol | IMRE | Caldwell, McMahon, et al., 1985 | gas phase; value altered from reference due to change in acidity scale |
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]
Caldwell, McMahon, et al., 1985
Caldwell, G.; McMahon, T.B.; Kebarle, P.; Bartmess, J.E.; Kiplinger, J.P.,
Methyl substituent effects in the gas phase acidities of halosubstituted oxygen acids. A realignment with substituent effects in solution,
J. Am. Chem. Soc., 1985, 107, 80. [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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