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2-Propanone, 1,1,1-trifluoro-

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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

C3H2F3O- + Hydrogen cation = 2-Propanone, 1,1,1-trifluoro-

By formula: C3H2F3O- + H+ = C3H3F3O

Quantity Value Units Method Reference Comment
Deltar349.2 ± 2.1kcal/molG+TSTaft, 1987gas phase; value altered from reference due to change in acidity scale; B
Deltar350.3 ± 3.5kcal/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar342.1 ± 2.0kcal/molIMRETaft, 1987gas phase; value altered from reference due to change in acidity scale; B
Deltar343.2 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; B

CN- + 2-Propanone, 1,1,1-trifluoro- = (CN- bullet 2-Propanone, 1,1,1-trifluoro-)

By formula: CN- + C3H3F3O = (CN- bullet C3H3F3O)

Quantity Value Units Method Reference Comment
Deltar20.4 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.3cal/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
Deltar12.9 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

Chlorine anion + 2-Propanone, 1,1,1-trifluoro- = C3H3ClF3O-

By formula: Cl- + C3H3F3O = C3H3ClF3O-

Quantity Value Units Method Reference Comment
Deltar13.7 ± 1.0kcal/molTDAsBofdanov and McMahon, 2002gas phase; B
Quantity Value Units Method Reference Comment
Deltar8.2 ± 1.0kcal/molTDAsBofdanov and McMahon, 2002gas phase; B

(CAS Reg. No. 130935-18-1 bullet 42949672952-Propanone, 1,1,1-trifluoro-) + 2-Propanone, 1,1,1-trifluoro- = CAS Reg. No. 130935-18-1

By formula: (CAS Reg. No. 130935-18-1 bullet 4294967295C3H3F3O) + C3H3F3O = CAS Reg. No. 130935-18-1

Quantity Value Units Method Reference Comment
Deltar53.8 ± 2.5kcal/molN/ACaldwell, McMahon, et al., 1985gas phase; value altered from reference due to change in acidity scale; B

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.

Taft, 1987
Taft, R.W., The Nature and Analysis of Substitutent Electronic Effects, Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [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]

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]

Caldwell, McMahon, et al., 1985
Caldwell, G.; McMahon, T.B.; Kebarle, P.; Bartmess, J.E.; Kiplinger, J.P., Methyl substituent effects in the gas phase acidities of halosubstituted oxygen acids. A realignment with substituent effects in solution, J. Am. Chem. Soc., 1985, 107, 80. [all data]


Notes

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