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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 195. ± 2. | K | AVG | N/A | Average of 12 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 173.1 | K | N/A | Thorp and Scott, 1956 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 172.65 | K | N/A | Ruff and Bretschneider, 1933 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 166.85 | K | N/A | Swarts, 1933 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 173.08 | K | N/A | Lobo and Staveley, 1979 | Uncertainty assigned by TRC = 0.005 K; TRC |
Ttriple | 173.10 | K | N/A | Pace and Aston, 1948 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 0.2591 | atm | N/A | Lobo and Staveley, 1979 | Uncertainty assigned by TRC = 0.00004 atm; TRC |
Ptriple | 0.2986 | atm | N/A | Swarts, 1933 | Uncertainty assigned by TRC = 0.0001 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 292.8 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 293.030 | K | N/A | Saikawa, Kijima, et al., 1979 | Uncertainty assigned by TRC = 0.01 K; TRC |
Tc | 293.01 | K | N/A | Kijima, Saikawa, et al., 1977 | Uncertainty assigned by TRC = 0.01 K; TRC |
Tc | 292.66 | K | N/A | Kim, 1974 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tc | 292.85 | K | N/A | Swarts, 1933 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 30.02 | atm | N/A | Saikawa, Kijima, et al., 1979 | Uncertainty assigned by TRC = 0.08 atm; derived from published vapor pressure data; TRC |
Pc | 30.00 | atm | N/A | Kijima, Saikawa, et al., 1977 | Uncertainty assigned by TRC = 0.011 atm; TRC |
Pc | 29.7361 | atm | N/A | Kim, 1974 | Uncertainty assigned by TRC = 0.0340 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.51 | mol/l | N/A | Saikawa, Kijima, et al., 1979 | Uncertainty assigned by TRC = 0.072 mol/l; TRC |
ρc | 4.20 | mol/l | N/A | Kijima, Saikawa, et al., 1977 | Uncertainty assigned by TRC = 0.14 mol/l; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
3.8599 | 194.87 | N/A | Pace and Aston, 1948, 2 | P = 101.325 kPA; DH |
4.13 | 186. | A | Stephenson and Malanowski, 1987 | Based on data from 172. to 200. K.; AC |
3.860 | 195. | N/A | Majer and Svoboda, 1985 | |
4.09 | 188. | N/A | Pace and Aston, 1948, 2 | Based on data from 180. to 196. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
180. to 195. | 5.810 | 0.232 | 292.8 | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
19.81 | 194.87 | Pace and Aston, 1948, 2 | P; DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
179.96 to 195.21 | 3.97442 | 677.112 | -24.506 | Pace and Aston, 1948, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.21 | 103. | Bondi, 1963 | See also Pace and Aston, 1948, 2.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.643 | 173.1 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.58 | 104.0 | Domalski and Hearing, 1996 | CAL |
3.70 | 173.1 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.8929 | 103.98 | crystaline, II | crystaline, I | Pace and Aston, 1948, 2 | DH |
0.6420 | 173.10 | crystaline, I | liquid | Pace and Aston, 1948, 2 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
8.587 | 103.98 | crystaline, II | crystaline, I | Pace and Aston, 1948, 2 | DH |
3.709 | 173.10 | crystaline, I | liquid | Pace and Aston, 1948, 2 | DH |
Gas phase ion energetics data
Go To: Top, Phase change 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:
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, Phase change 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.
Thorp and Scott, 1956
Thorp, N.; Scott, R.L.,
Fluorocarbon solutions at low termperatures. I. The liquid mixtures CF4-CHF3, CF4-CH4, CF4-Kr, CH4-Kr.,
J. Phys. Chem., 1956, 60, 670. [all data]
Ruff and Bretschneider, 1933
Ruff, O.; Bretschneider, O.,
The Preparation of Hexafluoroethane and Tetrafluoroethene from Tetrafluoromethane,
Z. Anorg. Allg. Chem., 1933, 210, 173. [all data]
Swarts, 1933
Swarts, F.,
Hexafluoroethane.,
Bull. Soc. Chim. Belg., 1933, 42, 114. [all data]
Lobo and Staveley, 1979
Lobo, L.Q.; Staveley, L.A.K.,
The vapour pressure of tetrafluoromethane.,
Cryogenics, 1979, 19, 335. [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. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Saikawa, Kijima, et al., 1979
Saikawa, K.; Kijima, J.; Uematsu, M.; Watanabe, K.,
Determination of the critical temperature and density of hexafluoroethane,
J. Chem. Eng. Data, 1979, 24, 165-7. [all data]
Kijima, Saikawa, et al., 1977
Kijima, J.; Saikawa, K.; Watanabe, K.; Oguchi, K.; Tanishita, I.,
Experimental study of thermodyn. prop. of hexafluoroethane (R116)
in Proc. Symp. Thermophys. Prop., 7th, Cezairliyan, A., Ed., ASME: New York, p 480, 1977. [all data]
Kim, 1974
Kim, K.Y.,
Calorimetric studies on argon and Hexafluoroethane and a generalized correlation of maxima in isobaric heat capacity., Ph.D. Dissertation, Univ. Mich., Ann Arbour, MI, 1974. [all data]
Pace and Aston, 1948, 2
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]
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]
Bondi, 1963
Bondi, A.,
Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments.,
J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [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, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Pc Critical pressure Ptriple Triple point pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.