Ethane, 1,1,2-trichloro-1,2,2-trifluoro-
- Formula: C2Cl3F3
- Molecular weight: 187.376
- IUPAC Standard InChIKey: AJDIZQLSFPQPEY-UHFFFAOYSA-N
- CAS Registry Number: 76-13-1
- 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: Arcton 63; Arklone P; F 113; Forane 113; Freon R 113; Freon TF; Freon 113; Freon 113 TR-T; Frigen 113; Frigen 113 TR; Frigen 113 TR-T; Frigen 113A; FC 113; Genetron 113; R 113; 1,1,2-Trichloro-1,2,2-Trifluoroethane; 1,1,2-Trifluoro-1,2,2-trichloroethane; 1,2,2-Trichlorotrifluoroethane; CFCl2CF2Cl; 1,1,2-Trichlorotrifluoroethane; Fluorocarbon 113; R 113(Halocarbon); Refrigerant 113; LEDON 113; Asahifron 113; 1,2,2-Trifluorotrichloroethane; Daiflon S 3; Freon F113; Halocarbon 113; Isceon 113; Kaiser chemicals 11; Khladon 113; Refrigerant R 113; 1,1,2-Trifluorotrichloroethane; Arklone; CFC-113; Distillex DS5; FC 133; Freon TF (113); Genesolv D; Trichloro 1,2,2-trifluoroethane; Halon 113; Delifrene LS; 1,1,2-trichlorotrifluoroethane (Freon 113)
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -755.0 ± 4.3 | kJ/mol | Ccr | Erastov, Kolesov, et al., 1981 | Correction by Kolesov and Papina, 1983; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -641.6 ± 1.9 | kJ/mol | Ccr | Erastov, Kolesov, et al., 1981 | Correction by Kolesov and Papina, 1983; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 289.5 | J/mol*K | N/A | Kolesov, Kosarukina, et al., 1981 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
172.5 | 303.15 | Wirbser, Brauning, et al., 1992 | T = 288 to 503 K. p = 0.6 MPa.; DH |
172.9 | 298.15 | Vesely, Zabransky, et al., 1988 | T = 298 to 318 K. Cp(J/mol*K) = 113.21 + 0.1991(T/K) (240 to 337 K).; DH |
172.8 | 298.15 | Kolesov, Kosarukina, et al., 1981 | T = 8 to 300 K.; DH |
179.8 | 298.15 | Benning, McHarness, et al., 1940 | T = 243 to 336 K. Data calculated from equation.; DH |
177.0 | 298.2 | Riedel, 1939 | T = -30 to 61°C.; DH |
177.0 | 298.2 | Riedel, 1938 | T = -30 to 61°C.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 321. | K | N/A | PCR Inc., 1990 | BS |
Tboil | 320.42 | K | N/A | Krauss and Stephan, 1989 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tboil | 320.9 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 320.7 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 236.55 | K | N/A | Krauss and Stephan, 1989 | Uncertainty assigned by TRC = 0.1 K; TRC |
Ttriple | 237.93 | K | N/A | Golovanova and Kolesov, 1984 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 236.92 | K | N/A | Kolesov, Kosarukina, et al., 1981, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 487.25 | K | N/A | Krauss and Stephan, 1989 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tc | 487.5 | K | N/A | Okada, Uematsu, et al., 1986 | Uncertainty assigned by TRC = 0.48 K; Tc selected from literature to correlate density measurement; TRC |
Tc | 487.2 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 487.48 | K | N/A | Mastroianni, Stahl, et al., 1978 | Uncertainty assigned by TRC = 0.55 K; visual disappearance of meniscus; TRC |
Tc | 487.25 | K | N/A | Benning and McHarness, 1940 | Uncertainty assigned by TRC = 0.5 K; by visual observation of meniscus; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 33.79 | bar | N/A | Krauss and Stephan, 1989 | Uncertainty assigned by TRC = 0.05 bar; TRC |
Pc | 34.1082 | bar | N/A | Mastroianni, Stahl, et al., 1978 | Uncertainty assigned by TRC = 0.0689 bar; from vapor pressure eq. at Tc; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.04 | mol/l | N/A | Okada, Uematsu, et al., 1986 | Uncertainty assigned by TRC = 0.0304 mol/l; Density measured with magnetic densimeter. Tc, Dc selected from literature to correlate density measurements. R113; TRC |
ρc | 3.0416 | mol/l | N/A | Mastroianni, Stahl, et al., 1978 | Uncertainty assigned by TRC = 0.0513 mol/l; plot of rectilinear diameters; TRC |
ρc | 3.07 | mol/l | N/A | Benning and McHarness, 1940 | Uncertainty assigned by TRC = 0.01 mol/l; by extrapolation of rectilinear diameter to critical temp.; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 28.61 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 28.2 ± 0.4 | kJ/mol | V | Erastov, Kolesov, et al., 1981 | Correction by Kolesov and Papina, 1983; ALS |
ΔvapH° | 28.4 ± 0.1 | kJ/mol | C | Majer, Svoboda, et al., 1980 | AC |
ΔvapH° | 28.2 ± 0.4 | kJ/mol | N/A | Varushchenko and Bulgakova, 1974 | AC |
ΔvapH° | 28.7 | kJ/mol | V | Hiraoka and Hildebrand, 1963 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
27.04 | 320.7 | N/A | Majer and Svoboda, 1985 | |
28.3 | 288. | A | Stephenson and Malanowski, 1987 | Based on data from 273. to 319. K.; AC |
30.9 | 253. | A | Stephenson and Malanowski, 1987 | Based on data from 238. to 364. K.; AC |
26.9 | 375. | A | Stephenson and Malanowski, 1987 | Based on data from 360. to 473. K.; AC |
28.8 | 307. | A | Stephenson and Malanowski, 1987 | Based on data from 297. to 317. K.; AC |
27.5 ± 0.1 | 313. | C | Majer, Svoboda, et al., 1980 | AC |
26.6 ± 0.1 | 328. | C | Majer, Svoboda, et al., 1980 | AC |
28.2 | 288. | N/A | Hiraoka and Hildebrand, 1963, 2 | Based on data from 273. to 318. K.; AC |
30.8 | 263. | N/A | Benning and McHarness, 1940, 2 | Based on data from 248. to 356. 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. | 44.18 | 0.2836 | 487.2 | 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 |
---|---|---|---|---|---|
247.67 to 356.5 | 4.02936 | 1112.856 | -44.119 | Benning and McHarness, 1940, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
32.9 | 219. | A | Stull, 1947 | Based on data from 205. to 233. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.326 | 273.93 | Golovanova and Kolesov, 1984, 2 | DH |
2.47 | 236.9 | Acree, 1991 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.49 | 273.93 | Golovanova and Kolesov, 1984, 2 | DH |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.8309 | 82.5 | crystaline, II | crystaline, I | Kolesov, Kosarukina, et al., 1981 | DH |
2.467 | 236.92 | crystaline, I | liquid | Kolesov, Kosarukina, et al., 1981 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
10.1 | 82.5 | crystaline, II | crystaline, I | Kolesov, Kosarukina, et al., 1981 | DH |
10.4 | 236.92 | crystaline, I | liquid | Kolesov, Kosarukina, et al., 1981 | DH |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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 |
---|---|---|---|
11.99 ± 0.02 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
12.05 | PE | Doucet, Sauvageau, et al., 1975 | Vertical value; LLK |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-8899 |
NIST MS number | 233813 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Erastov, Kolesov, et al., 1981
Erastov, P.A.; Kolesov, V.P.; Dityateva, L.N.; Golovanova, Yu.G.,
The enthalpy of formation of 1,1,2-trifluoro-1,2,2-trichloroethane,
J. Chem. Thermodyn., 1981, 13, 663-669. [all data]
Kolesov and Papina, 1983
Kolesov, V.P.; Papina, T.S.,
Thermochemistry of Haloethanes,
Russ. Chem. Rev., 1983, 52, 425. [all data]
Kolesov, Kosarukina, et al., 1981
Kolesov, V.P.; Kosarukina, E.A.; Zhogin, D.Yu.; Poloznikova, M.E.; Pentin, Yu.A.,
Heat capacities, phase transitions, and thermodynamic functions of 1,1,2,2,-tetrafluoro-1,2-dichloroethane and 1,1,3-trifluoro-1,2,2-trichloroethane,
J. Chem. Thermodynam., 1981, 13, 115-129. [all data]
Wirbser, Brauning, et al., 1992
Wirbser, H.; Brauning, G.; Ernst, G.,
Flow-calorimetric specific heat capacities of the refrigerants CFCl3 (R11) and CF2ClCFCl2 (R113) at pressures between 0.6 MPa and 30 MPa and temperatures between 288.15 and 503.15 K,
J. Chem. Thermodynam., 1992, 24, 783-784. [all data]
Vesely, Zabransky, et al., 1988
Vesely, F.; Zabransky, M.; Barcal, P.; Svoboda, V.,
Molar heat capacities of four liquid fluorinated and halogenated ethanes,
J. Chem. Thermodynam., 1988, 20, 1283-1285. [all data]
Benning, McHarness, et al., 1940
Benning, A.F.; McHarness, R.C.; Markwood, W.H., Jr.; Smith, W.J.,
Thermodynamic properties of fluorochloromethanes and -ethanes. Heat capacity of the liquid and vapor of three fluorochloromethanes and trifluorotrichloroethane,
Ind. and Eng. Chem., 1940, 32, 976-980. [all data]
Riedel, 1939
Riedel, L.,
Determination of the thermal properties of trifluorotrichloroethane,
Bull. Int. Inst. Refrig. Annex 20, 1939, No.3, 1-10. [all data]
Riedel, 1938
Riedel, L.,
Bestimmung der thermischen Eigenschaften von Trifluortrichloräthan,
Z. ges. Kalte.-Ind., 1938, 45, 221-225. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Krauss and Stephan, 1989
Krauss, R.; Stephan, K.,
Thermal Conductivity of Refrigerants in a Wide Range of Temperature and Pressure,
J. Phys. Chem. Ref. Data, 1989, 18, 43. [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]
Golovanova and Kolesov, 1984
Golovanova, Y.G.; Kolesov, V.P.,
Enthalpies of melting, melting temperatures, and cryoscopic constants of some haloorganic compounds,
Vestn. Mosk. Univ., Ser. 2: Khim., 1984, 25, 244. [all data]
Kolesov, Kosarukina, et al., 1981, 2
Kolesov, V.P.; Kosarukina, E.A.; Zhogin, D.Yu.; Poloznikova, M.E.; Pentin, Y.A.,
Heat capacities, phase transitions, and thermodynamic functions of 1,1,2,2-tetrafluoro-1,2-dichloroethane and 1,1,2-trifluoro- 1,2,2-trichloroethane,
J. Chem. Thermodyn., 1981, 13, 115. [all data]
Okada, Uematsu, et al., 1986
Okada, M.; Uematsu, M.; Watanabe, K.,
Orthobaric liquid densities of trichloro-fluoromethane, dichlorodi-fluoromethane, chlorodifluoromethane, 1,1,2-trichlorotrifluoroethane, 1,2-dichlorotetrafluoroethane, and of the azeotropic mixtur,
J. Chem. Thermodyn., 1986, 18, 527. [all data]
Mastroianni, Stahl, et al., 1978
Mastroianni, M.J.; Stahl, R.F.; Sheldon, P.N.,
Phys. and Thermo. Prop. of 1,1,2-Trrifluorotrichloromethane (R-113) 113),
J. Chem. Eng. Data, 1978, 23, 113-118. [all data]
Benning and McHarness, 1940
Benning, A.F.; McHarness, R.C.,
Thermodynamic Properties of Fluorochloromethanes and -Ethanes densities and critical constants of three fluorochloromethanes and trifluorotrichloroethane,
Ind. Eng. Chem., 1940, 32, 814. [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]
Varushchenko and Bulgakova, 1974
Varushchenko, R.M.; Bulgakova, L.L.,
Tr. Khim. Khim. Tekhnol., 1974, 1, 69. [all data]
Hiraoka and Hildebrand, 1963
Hiraoka, H.; Hildebrand, J.H.,
Solubility relations of the isomeric trichlorotrifluoroethanes,
J. Phys. Chem., 1963, 67, 916. [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, 2
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]
Benning and McHarness, 1940, 2
Benning, A.F.; McHarness, R.C.,
Thermodynamic Properties of Fluorochloromethanes and -Ethanes Vapor Pressure of Three Fluorochloromethanes and Trifluorotichloroethane,
Ind. Eng. Chem., 1940, 32, 4, 497-499, https://doi.org/10.1021/ie50364a011
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Golovanova and Kolesov, 1984, 2
Golovanova, Yu.G.; Kolesov, V.P.,
Enthalpies of melting, melting temperatures, and cryoscopic constants of some haloorganic compounds, Vestn. Mosk Univ.,
Ser. 2: Khim., 1984, 25(3), 244-248. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [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]
Doucet, Sauvageau, et al., 1975
Doucet, J.; Sauvageau, P.; Sandorfy, C.,
Photoelectron far-ultraviolet absorption spectra of chlorofluoro derivatives of ethane,
J. Chem. Phys., 1975, 62, 355. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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