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2-Propanone, 1,3-difluoro-


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

C3H3F2O- + Hydrogen cation = 2-Propanone, 1,3-difluoro-

By formula: C3H3F2O- + H+ = C3H4F2O

Quantity Value Units Method Reference Comment
Deltar350.3 ± 3.1kcal/molG+TSFarid and McMahon, 1980gas phase; Between PhCH2CN, CF3COCH3; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar343.1 ± 3.0kcal/molIMRBFarid and McMahon, 1980gas phase; Between PhCH2CN, CF3COCH3; value altered from reference due to change in acidity scale

(CAS Reg. No. 1064658-34-9 bullet 42949672952-Propanone, 1,3-difluoro-) + 2-Propanone, 1,3-difluoro- = CAS Reg. No. 1064658-34-9

By formula: (CAS Reg. No. 1064658-34-9 bullet 4294967295C3H4F2O) + C3H4F2O = CAS Reg. No. 1064658-34-9

Quantity Value Units Method Reference Comment
Deltar50.9 ± 6.5kcal/molTherClair and McMahon, 1980gas phase; Between MeCHO, PhCOMe; value altered from reference due to change in acidity scale

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin J.T. CLERC, ORGANIC CHEM. LAB., ETH, ZURICH, SWITZ.
NIST MS number 65099

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References

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), 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, Mass spectrum (electron ionization), References