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

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Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil272.1KN/AHwang, DesMarteau, et al., 1992Uncertainty assigned by TRC = 0.5 K; TRC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
24.5303.ABobbo, Camporese, et al., 2000Based on data from 283. to 323. K.; AC

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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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

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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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, Phase change data, 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.

Hwang, DesMarteau, et al., 1992
Hwang, S.H.; DesMarteau, D.D.; Beyerlein, A.L.; Smith, N.D.; Joyner, P., The heat capacity of fluorinated propane and butane derivatives by differential scanning calorimetry, J. Therm. Anal., 1992, 38, 2515-28. [all data]

Bobbo, Camporese, et al., 2000
Bobbo, Sergio; Camporese, Roberto; Stryjek, Roman, ( Vapour + liquid ) equilibrium measurement and correlation of the refrigerant ( propane + 1,1,1,3,3,3-hexafluoropropane) atT= ( 283.13, 303.19, and 323.26) K, The Journal of Chemical Thermodynamics, 2000, 32, 12, 1647-1656, https://doi.org/10.1006/jcht.2000.0713 . [all data]

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, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References