2-Propanone, 1,1,1,3,3-pentafluoro-
- Formula: C3HF5O
- Molecular weight: 148.0315
- IUPAC Standard InChI: InChI=1S/C3HF5O/c4-2(5)1(9)3(6,7)8/h2H
- IUPAC Standard InChIKey: WQAWXRFLNDAOON-UHFFFAOYSA-N
- CAS Registry Number: 431-71-0
- 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: Pentafluoroacetone
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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
C3F5O- + =
By formula: C3F5O- + H+ = C3HF5O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 337.5 ± 4.2 | kcal/mol | G+TS | Farid and McMahon, 1980 | gas phase; Between FCH2CO2H, HCl; nearer to HCl; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 330.7 ± 4.1 | kcal/mol | IMRB | Farid and McMahon, 1980 | gas phase; Between FCH2CO2H, HCl; nearer to HCl; 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.
Farid and McMahon, 1980
Farid, R.; McMahon, T.B.,
The gas phase acidities of fluorinated acetones. An ICR investigation of the role of fluorine substituents in the stabilization of planar carbanions,
Can. J. Chem., 1980, 58, 2307. [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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