Ethane, hexafluoro-
- Formula: C2F6
- Molecular weight: 138.0118
- IUPAC Standard InChIKey: WMIYKQLTONQJES-UHFFFAOYSA-N
- CAS Registry Number: 76-16-4
- 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: Perfluoroethane; F-116; Freon 116; Hexafluoroethane; C2F6; Fluorocarbon 116; UN 2193; Freon 1166SY; 1,1,1,2,2,2-Hexafluoroethane; R 116; Ethane, 1,1,1,2,2,2-hexafluoro-; HFC 116
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -1343.90 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1969 |
ΔfH°gas | -1344. ± 5.0 | kJ/mol | Eqk | Walker, Sinke, et al., 1970 | ALS |
ΔfH°gas | -1330. | kJ/mol | Eqk | Coomber and Whittle, 1967 | ALS |
ΔfH°gas | -1331. ± 8. | kJ/mol | Ccb | Sinke, 1966 | ALS |
ΔfH°gas | -1344.0 ± 4.0 | kJ/mol | Cm | Kirkbride and Davidson, 1954 | Reanalyzed by Kolesov and Papina, 1983, Original value = -1270. ± 8. kJ/mol; Von Wartenberg method; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 332.09 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1969 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1400. | 1400. to 6000. |
---|---|---|
A | 69.74728 | 176.9522 |
B | 225.3599 | 1.023370 |
C | -174.1628 | -0.193084 |
D | 47.14657 | 0.010897 |
E | -1.455677 | -11.17956 |
F | -1378.180 | -1429.213 |
G | 348.4444 | 496.5780 |
H | -1343.901 | -1343.901 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1969 | Data last reviewed in June, 1969 |
Condensed 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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 250.54 | J/mol*K | N/A | Pace and Aston, 1948 |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
131.3 | 195. | Pace and Aston, 1948 | T = 12 to 195 K. |
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: 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
By formula: 3C2F6 + 2F3N = 6CF4 + N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1304. ± 13. | kJ/mol | Ccb | Sinke, 1966 | gas phase |
By formula: C2N2 + C2F6 = 2C2F3N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.10 ± 0.59 | kJ/mol | Eqk | Walker, Sinke, et al., 1970 | gas phase |
By formula: C2F6 + Br2 = 2CBrF3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.3 ± 0.59 | kJ/mol | Eqk | Coomber and Whittle, 1967 | gas phase |
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 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
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
13.6 | PE | Inghram, Hanson, et al., 1980 | LLK |
14.4 | PE | Inghram, Hanson, et al., 1980 | Vertical value; LLK |
14.6 | PE | Sauvageau, Doucet, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CF+ | 16.75 | ? | PI | Noutary, 1968 | RDSH |
CF+ | 16.1 | ? | EI | Smith and Kevan, 1967 | RDSH |
CF3+ | 13.62 ± 0.015 | CF3 | PI | Noutary, 1968 | RDSH |
C2F4+ | 20.7 | ? | EI | Smith and Kevan, 1967 | RDSH |
C2F5+ | 14.94 ± 0.05 | F | PIPECO | Simm, Danby, et al., 1975 | LLK |
C2F5+ | 15.46 ± 0.02 | F | PI | Noutary, 1968 | RDSH |
F+ | 22.6 | ? | EI | Bibby and Carter, 1963 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Condensed 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Walker, Sinke, et al., 1970
Walker, L.C.; Sinke, G.C.; Perettie, D.J.; Janz, G.J.,
Enthalpy of formation of trifluoroacetonitrile,
J. Am. Chem. Soc., 1970, 92, 4525-4526. [all data]
Coomber and Whittle, 1967
Coomber, J.W.; Whittle, E.,
Bond dissociation energies from equilibrium studies. Part 2.-D(CF3-CF3) and enthalpy of formation of C2F6,
Trans. Faraday Soc., 1967, 63, 1394-1401. [all data]
Sinke, 1966
Sinke, G.C.,
The heat of reaction of nitrogen trifluoride and hexafluoroethane,
J. Phys. Chem., 1966, 70, 1326-1327. [all data]
Kirkbride and Davidson, 1954
Kirkbride, F.W.; Davidson, F.G.,
Heats of formation of gaseous fluoro- and fluorochloro-carbons,
Nature (London), 1954, 174, 79-80. [all data]
Kolesov and Papina, 1983
Kolesov, V.P.; Papina, T.S.,
Thermochemistry of Haloethanes,
Russ. Chem. Rev., 1983, 52, 425. [all data]
Pace and Aston, 1948
Pace, E.L.; Aston, J.G.,
The thermodynamics of hexafluoroethane from calorimetric and spectroscopic data,
J. Am. Chem. Soc., 1948, 70, 566-570. [all data]
Inghram, Hanson, et al., 1980
Inghram, M.G.; Hanson, G.R.; Stockbauer, R.,
The fragmentation of C2F6,
Int. J. Mass Spectrom. Ion Phys., 1980, 33, 253. [all data]
Sauvageau, Doucet, et al., 1974
Sauvageau, P.; Doucet, J.; Gilbert, R.; Sandorfy, C.,
Vacuum ultraviolet and photoelectron spectra of fluoroethanes,
J. Chem. Phys., 1974, 61, 391. [all data]
Noutary, 1968
Noutary, C.J.,
Mass spectrometric study of some fluorocarbons and trifluoromethyl halides,
J.Res. NBS, 1968, 72A, 479. [all data]
Smith and Kevan, 1967
Smith, D.; Kevan, L.,
Dissociative charge exchange of rare-gas ions with C2F6 and C3F8,
J. Chem. Phys., 1967, 46, 1586. [all data]
Simm, Danby, et al., 1975
Simm, I.G.; Danby, C.J.; Eland, J.H.D.; Mansell, P.I.,
Translational energy release in the loss of fluorine atoms from the ions SF6+, CF4+ and C2F6+,
J. Chem. Soc., 1975, 426. [all data]
Bibby and Carter, 1963
Bibby, M.M.; Carter, G.,
Ionization and dissociation in some fluorocarbon gases,
J. Chem. Soc. Faraday Trans., 1963, 59, 2455. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid Entropy of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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