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2-Propanone, 1,1,1,3,3-pentafluoro-


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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Individual Reactions

Chlorine anion + 2-Propanone, 1,1,1,3,3-pentafluoro- = (Chlorine anion bullet 2-Propanone, 1,1,1,3,3-pentafluoro-)

By formula: Cl- + C3HF5O = (Cl- bullet C3HF5O)

Quantity Value Units Method Reference Comment
Deltar109. ± 4.2kJ/molTDAsBofdanov and McMahon, 2002gas phase; B
Deltar97.9kJ/molICRLarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Deltar72.0 ± 4.2kJ/molTDAsBofdanov and McMahon, 2002gas phase; B
Deltar68.2 ± 8.4kJ/molIMRELarson and McMahon, 1984, 2gas phase; B,M,M

C3F5O- + Hydrogen cation = 2-Propanone, 1,1,1,3,3-pentafluoro-

By formula: C3F5O- + H+ = C3HF5O

Quantity Value Units Method Reference Comment
Deltar1412. ± 18.kJ/molG+TSFarid and McMahon, 1980gas phase; Between FCH2CO2H, HCl; nearer to HCl; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1384. ± 17.kJ/molIMRBFarid and McMahon, 1980gas phase; Between FCH2CO2H, HCl; nearer to HCl; value altered from reference due to change in acidity scale; B

CN- + 2-Propanone, 1,1,1,3,3-pentafluoro- = (CN- bullet 2-Propanone, 1,1,1,3,3-pentafluoro-)

By formula: CN- + C3HF5O = (CN- bullet C3HF5O)

Quantity Value Units Method Reference Comment
Deltar108. ± 15.kJ/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar74.9 ± 9.6kJ/molIMRELarson and McMahon, 1987gas phase; B,M

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.

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]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ion cyclotron resonance halide-exchange equilibria, J. Phys. Chem., 1984, 88, 1083. [all data]

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]

Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids, J. Am. Chem. Soc., 1987, 109, 6230. [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO2-, NO3-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]


Notes

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