Propane, 1,1,1,3,3,3-hexafluoro-

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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 by: John E. Bartmess

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Individual Reactions

C3HF6- + Hydrogen cation = Propane, 1,1,1,3,3,3-hexafluoro-

By formula: C3HF6- + H+ = C3H2F6

Quantity Value Units Method Reference Comment
Δr1522. ± 17.kJ/molG+TSMcDonald, Chowdhury, et al., 1984gas phase; Weaker than Koppel, Taft, et al., 1994 by 12 kcal/mol, but agree with G3MP2B3 calculations better. Between PhCOCH3, CF3CH2OH.; value altered from reference due to change in acidity scale
Δr1471. ± 9.2kJ/molG+TSKoppel, Taft, et al., 1994gas phase; 12 kcal/mol stronger than McDonald, Chowdhury, et al., 1984. Dissociative proton transfer to CF3CH=CF2 and HF?
Quantity Value Units Method Reference Comment
Δr1490. ± 17.kJ/molIMRBMcDonald, Chowdhury, et al., 1984gas phase; Weaker than Koppel, Taft, et al., 1994 by 12 kcal/mol, but agree with G3MP2B3 calculations better. Between PhCOCH3, CF3CH2OH.; value altered from reference due to change in acidity scale
Δr1439. ± 8.4kJ/molIMREKoppel, Taft, et al., 1994gas phase; 12 kcal/mol stronger than McDonald, Chowdhury, et al., 1984. Dissociative proton transfer to CF3CH=CF2 and HF?

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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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.
NIST MS number 4947

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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.

McDonald, Chowdhury, et al., 1984
McDonald, R.N.; Chowdhury, A.K.; McGhee, W.D., Gas-Phase Generation of 1,1,1,3,3,3-Hexafluoroisopropylidene Anion Radical: Proton Affinity and Heat of Formation of (CF3)2C- and (CF3)2CH-, J. Am. Chem. Soc., 1984, 106, 15, 4112, https://doi.org/10.1021/ja00327a008 . [all data]

Koppel, Taft, et al., 1994
Koppel, I.A.; Taft, R.W.; Anvia, F.; Zhu, S.Z.; Hu, L.Q.; Sung, K.S.; Desmarteau, D.D.; Yagupolskii, L.M., The Gas-Phase Acidities of Very Strong Neutral Bronsted Acids, J. Am. Chem. Soc., 1994, 116, 7, 3047, https://doi.org/10.1021/ja00086a038 . [all data]


Notes

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