1,1,1-Trifluoro-2-propanol
- Formula: C3H5F3O
- Molecular weight: 114.0664
- IUPAC Standard InChI: InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3
- IUPAC Standard InChIKey: GILIYJDBJZWGBG-UHFFFAOYSA-N
- CAS Registry Number: 374-01-6
- 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: 1,1,1-Trifluoroisopropanol; 1,1,1-Trifluoropropanol-2; 2-Propanol, 1,1,1-trifluoro-; 1-Methyl-2,2,2-trifluoroethanol; 1,1,1-Trifluoropropan-2-ol
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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 by: John E. Bartmess
De-protonation reactions
C3H4F3O- + =
By formula: C3H4F3O- + H+ = C3H5F3O
| 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° | 1480. ± 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, 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.
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, 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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