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Ethane, 1,1,2-trichloro-1,2,2-trifluoro-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-173.7 ± 1.0kcal/molCcrErastov, Kolesov, et al., 1981Correction by Kolesov and Papina, 1983

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 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
Deltafliquid-180.4 ± 1.0kcal/molCcrErastov, Kolesov, et al., 1981Correction by Kolesov and Papina, 1983; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-153.3 ± 0.45kcal/molCcrErastov, Kolesov, et al., 1981Correction by Kolesov and Papina, 1983; ALS
Quantity Value Units Method Reference Comment
liquid69.19cal/mol*KN/AKolesov, Kosarukina, et al., 1981DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
41.23303.15Wirbser, Brauning, et al., 1992T = 288 to 503 K. p = 0.6 MPa.; DH
41.32298.15Vesely, Zabransky, et al., 1988T = 298 to 318 K. Cp(J/mol*K) = 113.21 + 0.1991(T/K) (240 to 337 K).; DH
41.30298.15Kolesov, Kosarukina, et al., 1981T = 8 to 300 K.; DH
42.97298.15Benning, McHarness, et al., 1940T = 243 to 336 K. Data calculated from equation.; DH
42.30298.2Riedel, 1939T = -30 to 61°C.; DH
42.30298.2Riedel, 1938T = -30 to 61°C.; DH

Phase change 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:
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
Tboil321.KN/APCR Inc., 1990BS
Tboil320.42KN/AKrauss and Stephan, 1989Uncertainty assigned by TRC = 0.1 K; TRC
Tboil320.9KN/AWeast and Grasselli, 1989BS
Tboil320.7KN/AMajer and Svoboda, 1985 
Tboil320.7KN/AAnonymous, 1968TRC
Quantity Value Units Method Reference Comment
Tfus238.15KN/AAnonymous, 1968TRC
Quantity Value Units Method Reference Comment
Ttriple236.55KN/AKrauss and Stephan, 1989Uncertainty assigned by TRC = 0.1 K; TRC
Ttriple237.93KN/AGolovanova and Kolesov, 1984Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple236.92KN/AKolesov, Kosarukina, et al., 1981, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc487.3 ± 0.2KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc33.35atmN/AKrauss and Stephan, 1989Uncertainty assigned by TRC = 0.05 atm; TRC
Pc33.6622atmN/AMastroianni, Stahl, et al., 1978Uncertainty assigned by TRC = 0.0680 atm; from vapor pressure eq. at Tc; TRC
Pc33.6826atmN/AAnonymous, 1968TRC
Quantity Value Units Method Reference Comment
rhoc3.04mol/lN/AOkada, Uematsu, et al., 1986Uncertainty assigned by TRC = 0.0304 mol/l; Density measured with magnetic densimeter. Tc, Dc selected from literature to correlate density measurements. R113; TRC
rhoc3.0416mol/lN/AMastroianni, Stahl, et al., 1978Uncertainty assigned by TRC = 0.0513 mol/l; plot of rectilinear diameters; TRC
rhoc3.07mol/lN/ABenning and McHarness, 1940Uncertainty assigned by TRC = 0.01 mol/l; by extrapolation of rectilinear diameter to critical temp.; TRC
Quantity Value Units Method Reference Comment
Deltavap6.838kcal/molN/AMajer and Svoboda, 1985 
Deltavap6.74 ± 0.1kcal/molVErastov, Kolesov, et al., 1981Correction by Kolesov and Papina, 1983; ALS
Deltavap6.79 ± 0.02kcal/molCMajer, Svoboda, et al., 1980AC
Deltavap6.74 ± 0.1kcal/molN/AVarushchenko and Bulgakova, 1974AC
Deltavap6.86kcal/molVHiraoka and Hildebrand, 1963ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
6.463320.7N/AMajer and Svoboda, 1985 
6.76288.AStephenson and Malanowski, 1987Based on data from 273. - 319. K.; AC
7.39253.AStephenson and Malanowski, 1987Based on data from 238. - 364. K.; AC
6.43375.AStephenson and Malanowski, 1987Based on data from 360. - 473. K.; AC
6.88307.AStephenson and Malanowski, 1987Based on data from 297. - 317. K.; AC
6.57 ± 0.02313.CMajer, Svoboda, et al., 1980AC
6.36 ± 0.02328.CMajer, Svoboda, et al., 1980AC
6.74288.N/AHiraoka and Hildebrand, 1963, 2Based on data from 273. - 318. K.; AC
7.36263.N/ABenning and McHarness, 1940, 2Based on data from 248. - 356. 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)

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Temperature (K) A (kcal/mol) beta Tc (K) Reference Comment
298. - 328.10.560.2836487.2Majer and Svoboda, 1985 

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
247.67 - 356.54.023651112.856-44.119Benning and McHarness, 1940, 2Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
7.86219.AStull, 1947Based on data from 205. - 233. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
0.5559273.93Golovanova and Kolesov, 1984, 2DH
0.590236.9Acree, 1991AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
2.03273.93Golovanova and Kolesov, 1984, 2DH

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.198682.5crystaline, IIcrystaline, IKolesov, Kosarukina, et al., 1981DH
0.5896236.92crystaline, IliquidKolesov, Kosarukina, et al., 1981DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
2.4182.5crystaline, IIcrystaline, IKolesov, Kosarukina, et al., 1981DH
2.49236.92crystaline, IliquidKolesov, Kosarukina, et al., 1981DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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 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

Chlorine + Ethene, chlorotrifluoro- = Ethane, 1,1,2-trichloro-1,2,2-trifluoro-

By formula: Cl2 + C2ClF3 = C2Cl3F3

Quantity Value Units Method Reference Comment
Deltar-48.82 ± 0.48kcal/molCmLacher, McKinley, et al., 1949gas phase; Heat of Chlorination at 363 °K

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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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Mass spectrum
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Additional Data

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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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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]

Anonymous, 1968
Anonymous, X., Chemicals and Plastics Physical Properties, 1968, Union Carbide Corp., product bulletin, 1968. [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]

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]

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]

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]

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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References