2-Propanone, 1,3-difluoro-
- Formula: C3H4F2O
- Molecular weight: 94.0601
- IUPAC Standard InChI: InChI=1S/C3H4F2O/c4-1-3(6)2-5/h1-2H2
- IUPAC Standard InChIKey: HKIPCXRNASWFRU-UHFFFAOYSA-N
- CAS Registry Number: 453-14-5
- 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: (CH2F)2CO; 1,3-Difluoroacetone; sym-Difluoroacetone; 1,3-Difluoro-2-propanone; 1,3-Difluoropropan-2-one; CFH2COCFH2
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Reaction thermochemistry 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C3H3F2O- + =
By formula: C3H3F2O- + H+ = C3H4F2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 350.3 ± 3.1 | kcal/mol | G+TS | Farid and McMahon, 1980 | gas phase; Between PhCH2CN, CF3COCH3; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 343.1 ± 3.0 | kcal/mol | IMRB | Farid and McMahon, 1980 | gas phase; Between PhCH2CN, CF3COCH3; value altered from reference due to change in acidity scale |
(CAS Reg. No. 1064658-34-9 • 4294967295) +
= CAS Reg. No. 1064658-34-9
By formula: (CAS Reg. No. 1064658-34-9 • 4294967295C3H4F2O) + C3H4F2O = CAS Reg. No. 1064658-34-9
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 50.9 ± 6.5 | kcal/mol | Ther | Clair and McMahon, 1980 | gas phase; Between MeCHO, PhCOMe; value altered from reference due to change in acidity scale |
References
Go To: Top, Reaction thermochemistry 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]
Clair and McMahon, 1980
Clair, R.L.; McMahon, T.B.,
An ion cyclotron resonance study of base-induced elimination reactions of fluorinated alcohols and unimolecular loss of HF from chemically activated fluoroalkoxide ions,
Int. J. Mass Spectrom. Ion Phys., 1980, 33, 21. [all data]
Notes
Go To: Top, Reaction thermochemistry 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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