Trifluoroacetic acid

• Formula: C₂HF₃O₂
• Molecular weight: 114.0233
• IUPAC Standard InChI: InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7) Copy

  
• IUPAC Standard InChIKey: DTQVDTLACAAQTR-UHFFFAOYSA-N Copy
• CAS Registry Number: 76-05-1
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Acetic acid, trifluoro-; Perfluoroacetic acid; Trifluoroethanoic acid; CF3COOH; Kyselina trifluoroctova; Trifluoracetic acid; UN 2699; Acetic acid, 2,2,2-trifluoro-; NSC 77366
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• Information on this page:
  • Gas phase thermochemistry data
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Gas phase 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Ion clustering 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C₂H₂F₃O₂⁺ +  = (C₂H₂F₃O₂⁺ • )

By formula: C₂H₂F₃O₂⁺ + C₂HF₃O₂ = (C₂H₂F₃O₂⁺ • C₂HF₃O₂)

Bond type: Hydrogen bonds of the type OH-O between organics

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.

Guthrie, 1976
Guthrie, J.P., Thermodynamics of ester and orthoester formation from trifluoroacetic acid, Can. J. Chem., 1976, 54, 202-209. [all data]

Kolesov, Slavutskaya, et al., 1972
Kolesov, V.P.; Slavutskaya, G.M.; Papina, T.S., Standard enthalpies of formation of perfluorodi-n-butyl ether and trifluoroacetic acid, Russ. J. Phys. Chem. (Engl. Transl.), 1972, 46, 474. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Kolesov and Zenkov, 1966
Kolesov, V.P.; Zenkov, I.D., Standard of enthalpy of formation of trifluoroacetic acid, Russ. J. Phys. Chem. (Engl. Transl.), 1966, 40, 743-744. [all data]

Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B., Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements, J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016 . [all data]

Cunningham, Payzant, et al., 1972
Cunningham, A.J.; Payzant, J.D.; Kebarle, P., A Kinetic Study of the Proton Hydrate H+(H2O)n Equilibria in the Gas Phase, J. Am. Chem. Soc., 1972, 94, 22, 7627, https://doi.org/10.1021/ja00777a003 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr., Thermochemical data on Ggs-phase ion-molecule association and clustering reactions, J. Phys. Chem. Ref. Data, 1986, 15, 1011. [all data]

Notes

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• Symbols used in this document:
  

  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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