Propene, hexafluoro-
- Formula: C3F6
- Molecular weight: 150.0225
- IUPAC Standard InChIKey: HCDGVLDPFQMKDK-UHFFFAOYSA-N
- CAS Registry Number: 116-15-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 1-Propene, 1,1,2,3,3,3-hexafluoro-; Hexafluoropropene; Hexafluoropropylene; Perfluoro-1-propene; Perfluoropropene; Perfluoropropylene; 1,1,2,3,3,3-Hexafluoro-1-propene; CF3CF=CF2; Propylene, hexafluoro-; UN 1858; HFC 1216; Hexafluoro-1-propene
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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 |
---|---|---|---|---|---|
ΔfH°gas | -275.26 | kcal/mol | Ccr | Papina, Kolesov, et al., 1987 |
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
+
= C3ClF6-
By formula: Cl- + C3F6 = C3ClF6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.60 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.15 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
+
= C3F6I-
By formula: I- + C3F6 = C3F6I-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.60 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.44 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
+
= C3BrF6-
By formula: Br- + C3F6 = C3BrF6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.90 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.24 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
By formula: C3ClF6- + 2C3F6 = C6ClF12-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.60 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.74 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
By formula: C6ClF12- + 3C3F6 = C9ClF18-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.90 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.45 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
By formula: C3BrF6- + 2C3F6 = C6BrF12-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.30 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.74 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
By formula: C3F6I- + 2C3F6 = C6F12I-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.70 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.25 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
By formula: C3F6 + Cl2 = C3Cl2F6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -47.15 ± 0.12 | kcal/mol | Cm | Lacher, McKinley, et al., 1949 | gas phase; Heat of chlorination at 363 °K; ALS |
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 ± 0.03 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.60 ± 0.03 | PI | Berman, Bomse, et al., 1981 | LLK |
10.62 | PE | Freiser and Beauchamp, 1974 | LLK |
10.62 | PE | Cullen, Frost, et al., 1972 | LLK |
11.11 | EI | Lifshitz and Long, 1965 | RDSH |
10.3 ± 0.2 | EI | Chelobov, Dubov, et al., 1963 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CF+ | 18.1 | ? | EI | Lifshitz and Long, 1965 | RDSH |
CF2+ | 19.8 | ? | EI | Lifshitz and Long, 1965 | RDSH |
CF3+ | 15.0 ± 0.1 | ? | EI | Chelobov, Dubov, et al., 1963 | RDSH |
C2F3+ | 16.1 ± 0.2 | CF3 | EI | Chelobov, Dubov, et al., 1963 | RDSH |
C2F4+ | 13.04 ± 0.03 | CF2 | PI | Berman, Bomse, et al., 1981 | LLK |
C2F4+ | 12.5 ± 0.1 | ? | EI | Chelobov, Dubov, et al., 1963 | RDSH |
C3F5+ | 14.8 ± 0.3 | F | EI | Chelobov, Dubov, et al., 1963 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, 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.
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]
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
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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