2-Propanone, 1-fluoro-
- Formula: C3H5FO
- Molecular weight: 76.0696
- IUPAC Standard InChIKey: MSWVMWGCNZQPIA-UHFFFAOYSA-N
- CAS Registry Number: 430-51-3
- 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: Fluoroacetone; 1-Fluoro-2-propanone; CH3COCH2F; Mono-fluoroacetone
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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
C3H4FO- + =
By formula: C3H4FO- + H+ = C3H5FO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1496. ± 15. | kJ/mol | G+TS | Farid and McMahon, 1980 | gas phase; Between pyrrole, MeNO2; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1465. ± 15. | kJ/mol | IMRB | Farid and McMahon, 1980 | gas phase; Between pyrrole, MeNO2; value altered from reference due to change in acidity scale |
C3H4FO- + =
By formula: C3H4FO- + H+ = C3H5FO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1532. ± 17. | kJ/mol | G+TS | Clair and McMahon, 1980 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1503. ± 17. | kJ/mol | IMRB | Clair and McMahon, 1980 | gas phase; value altered from reference due to change in acidity scale |
+
= C3H5ClFO-
By formula: Cl- + C3H5FO = C3H5ClFO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.0 ± 4.2 | kJ/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 46.4 ± 4.2 | kJ/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase |
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]
Bofdanov and McMahon, 2002
Bofdanov, B.; McMahon, T.B.,
Structures, Thermochemistry, and Infrared Spectra of Chloride Ion-Fluorinated Acetone Complexes and Neutral Fluorinated Acetones in the Gas Phase: Experiment and Theory,
Int. J. Mass Spectrom., 2002, 219, 3, 593-613, https://doi.org/10.1016/S1387-3806(02)00745-5
. [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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