Propene, hexafluoro-

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Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, References, Notes

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

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Individual Reactions

Chlorine anion + Propene, hexafluoro- = C3ClF6-

By formula: Cl- + C3F6 = C3ClF6-

Quantity Value Units Method Reference Comment
Δr12.60 ± 0.30kcal/molTDAsHiraoka, Takao, et al., 2002gas phase; B
Quantity Value Units Method Reference Comment
Δr5.15 ± 0.30kcal/molTDAsHiraoka, Takao, et al., 2002gas phase; B

Iodide + Propene, hexafluoro- = C3F6I-

By formula: I- + C3F6 = C3F6I-

Quantity Value Units Method Reference Comment
Δr8.60 ± 0.30kcal/molTDAsHiraoka, Takao, et al., 2002gas phase; B
Quantity Value Units Method Reference Comment
Δr1.44 ± 0.30kcal/molTDAsHiraoka, Takao, et al., 2002gas phase; B

Bromine anion + Propene, hexafluoro- = C3BrF6-

By formula: Br- + C3F6 = C3BrF6-

Quantity Value Units Method Reference Comment
Δr9.90 ± 0.30kcal/molTDAsHiraoka, Takao, et al., 2002gas phase; B
Quantity Value Units Method Reference Comment
Δr4.24 ± 0.30kcal/molTDAsHiraoka, Takao, et al., 2002gas phase; B

C3ClF6- + 2Propene, hexafluoro- = C6ClF12-

By formula: C3ClF6- + 2C3F6 = C6ClF12-

Quantity Value Units Method Reference Comment
Δr9.60 ± 0.30kcal/molTDAsHiraoka, Takao, et al., 2002gas phase; B
Quantity Value Units Method Reference Comment
Δr2.74 ± 0.30kcal/molTDAsHiraoka, Takao, et al., 2002gas phase; B

C6ClF12- + 3Propene, hexafluoro- = C9ClF18-

By formula: C6ClF12- + 3C3F6 = C9ClF18-

Quantity Value Units Method Reference Comment
Δr8.90 ± 0.30kcal/molTDAsHiraoka, Takao, et al., 2002gas phase; B
Quantity Value Units Method Reference Comment
Δr1.45 ± 0.30kcal/molTDAsHiraoka, Takao, et al., 2002gas phase; B

C3BrF6- + 2Propene, hexafluoro- = C6BrF12-

By formula: C3BrF6- + 2C3F6 = C6BrF12-

Quantity Value Units Method Reference Comment
Δr8.30 ± 0.30kcal/molTDAsHiraoka, Takao, et al., 2002gas phase; B
Quantity Value Units Method Reference Comment
Δr1.74 ± 0.30kcal/molTDAsHiraoka, Takao, et al., 2002gas phase; B

C3F6I- + 2Propene, hexafluoro- = C6F12I-

By formula: C3F6I- + 2C3F6 = C6F12I-

Quantity Value Units Method Reference Comment
Δr7.70 ± 0.30kcal/molTDAsHiraoka, Takao, et al., 2002gas phase; B
Quantity Value Units Method Reference Comment
Δr0.25 ± 0.30kcal/molTDAsHiraoka, Takao, et al., 2002gas phase; B

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

By formula: C3F6 + Cl2 = C3Cl2F6

Quantity Value Units Method Reference Comment
Δr-47.15 ± 0.12kcal/molCmLacher, McKinley, et al., 1949gas phase; Heat of chlorination at 363 °K; ALS

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, References, Notes

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

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes

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

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]


Notes

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