Ethane, 1,1,1-trichloro-2,2,2-trifluoro-
- Formula: C2Cl3F3
- Molecular weight: 187.376
- IUPAC Standard InChIKey: BOSAWIQFTJIYIS-UHFFFAOYSA-N
- CAS Registry Number: 354-58-5
- 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. - Species with the same structure:
- Other names: Freon-FT; 1,1,1-Trichloro-2,2,2-trifluoroethane; 1,1,1-Trichlorotrifluoroethane; 1,1,1-Trifluoro-2,2,2-trichloroethane; 1,1,1-Trifluorotrichloroethane; CF3CCl3; Precision cleaning agent; T-WD602; Trichlorotrifluoroethane; FC 113a; 2,2,2-Trichloro-1,1,1-trifluoro-ethane; CFC 113a; F 113a
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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
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 318.8 | K | N/A | PCR Inc., 1990 | BS |
Tboil | 319.0 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 319.2 | K | N/A | Majer and Svoboda, 1985 | |
Tboil | 319. | K | N/A | Cuculo and Bigelow, 1952 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 287.52 | K | N/A | Ott, Woodfield, et al., 1987 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Tfus | 287. | K | N/A | Cuculo and Bigelow, 1952 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 287.52 | K | N/A | Ott, Woodfield, et al., 1987 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 482.9 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 28.32 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 29.2 | kJ/mol | A | Stephenson and Malanowski, 1987 | Based on data from 286. to 310. K. See also Hiraoka and Hildebrand, 1963.; AC |
ΔvapH° | 28.1 ± 0.1 | kJ/mol | C | Majer, Svoboda, et al., 1980 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
26.85 | 319.2 | N/A | Majer and Svoboda, 1985 | |
27.2 ± 0.1 | 313. | C | Majer, Svoboda, et al., 1980 | AC |
26.3 ± 0.1 | 328. | C | Majer, Svoboda, et al., 1980 | AC |
28.9 | 308. | N/A | Majer, Svoboda, et al., 1980 | Based on data from 297. to 319. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 328. | 43.3 | 0.2743 | 482.9 | Majer and Svoboda, 1985 |
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 |
---|---|---|---|---|---|
287.20 to 309.20 | 1.63217 | 220.322 | -184.841 | Hiraoka and Hildebrand, 1963 | Coefficents calculated by NIST from author's data. |
247.67 to 352.40 | 4.01091 | 1112.774 | -42.983 | Riedel, 1938 | Coefficents calculated by NIST from author's data. |
Temperature of phase transition
Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|
148. | crystaline, II, Solid | crystaline, I, plastic crystal | Ott, Woodfield, et al., 1987, 2 | DH |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
4.110 | 287.52 | crystaline, I | liquid | Ott, Woodfield, et al., 1987, 2 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
14. | 287.52 | crystaline, I | liquid | Ott, Woodfield, et al., 1987, 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 |
---|---|---|---|
11.5 | PE | Dumas, Dupuis, et al., 1981 | LLK |
11.78 ± 0.03 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
11.8 | PE | Dumas, Dupuis, et al., 1981 | Vertical value; LLK |
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.
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]
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]
Cuculo and Bigelow, 1952
Cuculo, J.A.; Bigelow, L.A.,
The Action of elementary Fluorine upon Organic Compounds. XVII. The Direct Fluorination of Acetonitrile,
J. Am. Chem. Soc., 1952, 74, 710. [all data]
Ott, Woodfield, et al., 1987
Ott, J.B.; Woodfield, B.F.; Guanquan, C.; Boerio-Goates, J.; Goates, J.R.,
(Solid + Liquid) Phase Equilibriain Acetonitrile + Tetrachloromethane, + Trichloromethane, + Trichlorofluoromethane, and + 1,1,1-Trichlorotrifluoromethane,
J. Chem. Thermodyn., 1987, 19, 177. [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]
Hiraoka and Hildebrand, 1963
Hiraoka, H.; Hildebrand, J.H.,
SOLUBILITY RELATIONS OF THE ISOMERIC TRICHLOROTRIFLUOROETHANES,
J. Phys. Chem., 1963, 67, 4, 916-918, https://doi.org/10.1021/j100798a049
. [all data]
Majer, Svoboda, et al., 1980
Majer, Vladimír; Svoboda, Václav; Posta, Antonín; Pick, Jirí,
Determination of heats of vaporization and some other thermodynamic quantities for several fluorinated halogen derivatives of ethane and propane,
Collect. Czech. Chem. Commun., 1980, 45, 11, 3063-3068, https://doi.org/10.1135/cccc19803063
. [all data]
Riedel, 1938
Riedel, L.,
Bestimmung der thermischen Eigenschaften von Trifluor-Trichlorathan,
Z. Gesamte Kaelte Ind., 1938, 45, 221-227. [all data]
Ott, Woodfield, et al., 1987, 2
Ott, J.B.; Woodfield, B.F.; Guanquan, C.; Boerio-Goates, J.,
and Goates, J.R. (Solid + liquid) phase equilibria in acetonitrile + tetrachloromethane, + trichloromethane, + trichlorofluoromethane, and +1,1,1-trichlorotrifluoroethane,
J. Chem. Thermodynam., 1987, 19, 177-184. [all data]
Dumas, Dupuis, et al., 1981
Dumas, J.-M.; Dupuis, P.; Pfister-Guillouzo, G.; Sandorfy, C.,
Ionization potentials and ultraviolet absorption spectra of fluorocarbon anesthetics,
Can. J. Spectrosc., 1981, 26, 102. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Ttrs Temperature of phase transition ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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