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Propene, hexafluoro-

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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

Quantity Value Units Method Reference Comment
Deltafgas-1151.7kJ/molCcrPapina, Kolesov, et al., 1987 

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil244.KN/APCR Inc., 1990BS
Tboil244.2KN/AWeast and Grasselli, 1989BS
Tboil244.KN/ALazerte, Hals, et al., 1953Uncertainty assigned by TRC = 3. K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
21.9278.AStephenson and Malanowski, 1987Based on data from 233. - 293. K. See also Whipple, 1952, Dykyj, 1970, and Boublik, Fried, et al., 1984.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
232.5 - 292.904.512881028.267-14.694Whipple, 1952Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Chlorine anion + Propene, hexafluoro- = C3ClF6-

By formula: Cl- + C3F6 = C3ClF6-

Quantity Value Units Method Reference Comment
Deltar52.7 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase; B
Quantity Value Units Method Reference Comment
Deltar21.5 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase; B

Iodide + Propene, hexafluoro- = C3F6I-

By formula: I- + C3F6 = C3F6I-

Quantity Value Units Method Reference Comment
Deltar36.0 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase; B
Quantity Value Units Method Reference Comment
Deltar6.0 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase; B

Bromine anion + Propene, hexafluoro- = C3BrF6-

By formula: Br- + C3F6 = C3BrF6-

Quantity Value Units Method Reference Comment
Deltar41.4 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase; B
Quantity Value Units Method Reference Comment
Deltar17.7 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase; B

C3ClF6- + 2Propene, hexafluoro- = C6ClF12-

By formula: C3ClF6- + 2C3F6 = C6ClF12-

Quantity Value Units Method Reference Comment
Deltar40.2 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase; B
Quantity Value Units Method Reference Comment
Deltar11.5 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase; B

C6ClF12- + 3Propene, hexafluoro- = C9ClF18-

By formula: C6ClF12- + 3C3F6 = C9ClF18-

Quantity Value Units Method Reference Comment
Deltar37.2 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase; B
Quantity Value Units Method Reference Comment
Deltar6.1 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase; B

C3BrF6- + 2Propene, hexafluoro- = C6BrF12-

By formula: C3BrF6- + 2C3F6 = C6BrF12-

Quantity Value Units Method Reference Comment
Deltar34.7 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase; B
Quantity Value Units Method Reference Comment
Deltar7.3 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase; B

C3F6I- + 2Propene, hexafluoro- = C6F12I-

By formula: C3F6I- + 2C3F6 = C6F12I-

Quantity Value Units Method Reference Comment
Deltar32.2 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase; B
Quantity Value Units Method Reference Comment
Deltar1.0 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase; B

Propene, hexafluoro- + Chlorine = 1,2-Dichlorohexafluoropropane

By formula: C3F6 + Cl2 = C3Cl2F6

Quantity Value Units Method Reference Comment
Deltar-197.27 ± 0.48kJ/molCmLacher, McKinley, et al., 1949gas phase; Heat of chlorination at 363 °K; ALS

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference
0.000292400.LN/A

Gas phase ion energetics 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)10.60 ± 0.03eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.60 ± 0.03PIBerman, Bomse, et al., 1981LLK
10.62PEFreiser and Beauchamp, 1974LLK
10.62PECullen, Frost, et al., 1972LLK
11.11EILifshitz and Long, 1965RDSH
10.3 ± 0.2EIChelobov, Dubov, et al., 1963RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+18.1?EILifshitz and Long, 1965RDSH
CF2+19.8?EILifshitz and Long, 1965RDSH
CF3+15.0 ± 0.1?EIChelobov, Dubov, et al., 1963RDSH
C2F3+16.1 ± 0.2CF3EIChelobov, Dubov, et al., 1963RDSH
C2F4+13.04 ± 0.03CF2PIBerman, Bomse, et al., 1981LLK
C2F4+12.5 ± 0.1?EIChelobov, Dubov, et al., 1963RDSH
C3F5+14.8 ± 0.3FEIChelobov, Dubov, et al., 1963RDSH

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: John E. Bartmess

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

Bromine anion + Propene, hexafluoro- = C3BrF6-

By formula: Br- + C3F6 = C3BrF6-

Quantity Value Units Method Reference Comment
Deltar41.4 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase
Quantity Value Units Method Reference Comment
Deltar17.7 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase

C3BrF6- + 2Propene, hexafluoro- = C6BrF12-

By formula: C3BrF6- + 2C3F6 = C6BrF12-

Quantity Value Units Method Reference Comment
Deltar34.7 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase
Quantity Value Units Method Reference Comment
Deltar7.3 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase

C3ClF6- + 2Propene, hexafluoro- = C6ClF12-

By formula: C3ClF6- + 2C3F6 = C6ClF12-

Quantity Value Units Method Reference Comment
Deltar40.2 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase
Quantity Value Units Method Reference Comment
Deltar11.5 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase

C3F6I- + 2Propene, hexafluoro- = C6F12I-

By formula: C3F6I- + 2C3F6 = C6F12I-

Quantity Value Units Method Reference Comment
Deltar32.2 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase
Quantity Value Units Method Reference Comment
Deltar1.0 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase

C6ClF12- + 3Propene, hexafluoro- = C9ClF18-

By formula: C6ClF12- + 3C3F6 = C9ClF18-

Quantity Value Units Method Reference Comment
Deltar37.2 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase
Quantity Value Units Method Reference Comment
Deltar6.1 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase

Chlorine anion + Propene, hexafluoro- = C3ClF6-

By formula: Cl- + C3F6 = C3ClF6-

Quantity Value Units Method Reference Comment
Deltar52.7 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase
Quantity Value Units Method Reference Comment
Deltar21.5 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase

Iodide + Propene, hexafluoro- = C3F6I-

By formula: I- + C3F6 = C3F6I-

Quantity Value Units Method Reference Comment
Deltar36.0 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase
Quantity Value Units Method Reference Comment
Deltar6.0 ± 1.3kJ/molTDAsHiraoka, Takao, et al., 2002gas phase

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, NIST Free Links, References, Notes

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 4738

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Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), NIST Free Links, References, Notes

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

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryPorapack Q268.Zenkevich and Rodin, 2004Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Papina, Kolesov, et al., 1987
Papina, T.S.; Kolesov, V.P.; Golovanova, Yu.G., Standard enthalpies of formation of 1,2-Dichlorohexafluoropropane and hexafluoropropane, Russ. J. Phys. Chem. (Engl. Transl.), 1987, 61, 1168-1170. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Lazerte, Hals, et al., 1953
Lazerte, J.D.; Hals, L.J.; Ried, T.S.; Smith, G.H., Pyrolyses of the Salts of the Perfluoro Carboxylic Acids, J. Am. Chem. Soc., 1953, 75, 4525. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Whipple, 1952
Whipple, G.H., Vapor-Liquid Equilibria of Some Fluorinated Hydrocarbon Systems, Ind. Eng. Chem., 1952, 44, 7, 1664-1667, https://doi.org/10.1021/ie50511a050 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Hiraoka, Takao, et al., 2002
Hiraoka, K.; Takao, K.; Lino, T.; Nakagawa, F.; Suyama, H.; Mizuno, T.; Yamabe, S., Gas-phase ion-molecule reactions in C3F6, J. Phys. Chem. A, 2002, 106, 4, 603-611, https://doi.org/10.1021/jp0116306 . [all data]

Lacher, McKinley, et al., 1949
Lacher, J.R.; McKinley, J.J.; Walden, C.; Lea, K.; Park, J.D., Reaction heats of organic fluorine compounds. II. The vapor phase heats of chlorination of some simple fluoroolefins, J. Am. Chem. Soc., 1949, 71, 1334-1337. [all data]

Berman, Bomse, et al., 1981
Berman, D.W.; Bomse, D.S.; Beauchamp, J.L., Photoionization threshold measurements for CF2 loss from perfluoropropylene, Perfluorocyclopropane, and trifluoromethylbenzene. The heat of formation of CF2 and the potential energy surface for C3F6 neutrals and ions, Int. J. Mass Spectrom. Ion Phys., 1981, 39, 263. [all data]

Freiser and Beauchamp, 1974
Freiser, B.S.; Beauchamp, J.L., Gas phase ion chemistry and photochemistry of ions generated from perfluoropropylene. Photodissociation of the perfluoroallyl cation, J. Am. Chem. Soc., 1974, 96, 6260. [all data]

Cullen, Frost, et al., 1972
Cullen, W.R.; Frost, D.C.; Leeder, W.R., The ultraviolet and photoelectron spectra of some unsaturated fluorocarbon derivatives, J. Fluorine Chem., 1972, 1, 227. [all data]

Lifshitz and Long, 1965
Lifshitz, C.; Long, F.A., Appearance potentials and mass spectra of C3F6, C3F5Cl, and c-C3F6, J. Phys. Chem., 1965, 69, 3741. [all data]

Chelobov, Dubov, et al., 1963
Chelobov, F.N.; Dubov, S.S.; Tikhomirov, M.I.; Dobrovitskii, M.I., Ionization and dissociation of hexafluoropropylene by electrons of different energies, Dokl. Akad. Nauk SSSR, 1963, 151, 631, In original 670. [all data]

Zenkevich and Rodin, 2004
Zenkevich, I.G.; Rodin, A.A., Gas chromatographic identification of some volatile toxic fluorine containing compounds by precalculated retention indices, J. Ecol. Chem. (Rus.), 2004, 13, 1, 22-28. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References