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2-Propanone, 1-fluoro-


Reaction thermochemistry 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

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Individual Reactions

C3H4FO- + Hydrogen cation = 2-Propanone, 1-fluoro-

By formula: C3H4FO- + H+ = C3H5FO

Quantity Value Units Method Reference Comment
Deltar357.6 ± 3.6kcal/molG+TSFarid and McMahon, 1980gas phase; Between pyrrole, MeNO2; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar350.2 ± 3.5kcal/molIMRBFarid and McMahon, 1980gas phase; Between pyrrole, MeNO2; value altered from reference due to change in acidity scale

C3H4FO- + Hydrogen cation = 2-Propanone, 1-fluoro-

By formula: C3H4FO- + H+ = C3H5FO

Quantity Value Units Method Reference Comment
Deltar366.1 ± 4.1kcal/molG+TSClair and McMahon, 1980gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar359.3 ± 4.0kcal/molIMRBClair and McMahon, 1980gas phase; value altered from reference due to change in acidity scale

Chlorine anion + 2-Propanone, 1-fluoro- = C3H5ClFO-

By formula: Cl- + C3H5FO = C3H5ClFO-

Quantity Value Units Method Reference Comment
Deltar18.4 ± 1.0kcal/molTDAsBofdanov and McMahon, 2002gas phase
Quantity Value Units Method Reference Comment
Deltar11.1 ± 1.0kcal/molTDAsBofdanov and McMahon, 2002gas phase

References

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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

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