1-Propene, 3,3,3-trifluoro-2-methyl-
- Formula: C4H5F3
- Molecular weight: 110.0777
- IUPAC Standard InChI: InChI=1S/C4H5F3/c1-3(2)4(5,6)7/h1H2,2H3
- IUPAC Standard InChIKey: VJOAJCOCCYFXPR-UHFFFAOYSA-N
- CAS Registry Number: 374-00-5
- 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: Propene, 3,3,3-trifluoro-2-methyl-; 3,3,3-Trifluoro-2-methylpropene; CH3C(CF3)=CH2; 2-Trifluoromethylpropene
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Gas phase ion energetics data
Go To: Top, 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
C4H4F3- + =
By formula: C4H4F3- + H+ = C4H5F3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1565. ± 8.8 | kJ/mol | G+TS | Bartmess and Burnham, 1984 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1537. ± 8.4 | kJ/mol | IMRE | Bartmess and Burnham, 1984 | 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.
Bartmess and Burnham, 1984
Bartmess, J.E.; Burnham, R.,
Effect of central substituents on the gas phase acidities of propenes,
J. Org. Chem., 1984, 49, 1382. [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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