Tetrachloroethylene

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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:
DRB - Donald R. Burgess, Jr.
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
Δfliquid-64. ± 4.kJ/molReviewManion, 2002derived from recommended ΔfHgas° and ΔvapH°; DRB
Δfliquid-54.4kJ/molCmKirkbride, 1956ALS
Quantity Value Units Method Reference Comment
Δcliquid-830. ± 10.kJ/molCcbSmith, Bjellerup, et al., 1953ALS
Quantity Value Units Method Reference Comment
liquid240.6J/mol*KN/ANovoselova, Rabinovich, et al., 1986DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
147.16298.15Wilhelm, Lainez, et al., 1989DH
157.9298.15Novoselova, Rabinovich, et al., 1986T = 6 to 300 K.; DH
146.5298.15Grolier, Inglese, et al., 1982T = 298.15 K. One data point given.; DH
139.7298.Kurbatov, 1948T = 16 to 119°C, mean Cp two temperatures.; DH
146.9298.von Reis, 1881T = 291 to 410 K.; 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
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
Tboil394.2 ± 0.4KAVGN/AAverage of 14 out of 15 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus250.97KN/ADreisbach and Martin, 1949Uncertainty assigned by TRC = 0.05 K; TRC
Tfus250.6KN/AVan de Vloed, 1939Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple250.81KN/ANovoselova, Rabinovich, et al., 1986, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc620.KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Δvap39.72kJ/molN/AMajer and Svoboda, 1985 
Δvap39.72 ± 0.05kJ/molReviewManion, 2002weighted average of several measurements plus a correction for non-ideality; DRB
Δvap39.7 ± 0.1kJ/molCMajer, Sváb, et al., 1980AC
Δvap39.7 ± 0.84kJ/molVMathews, 1926Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 34.7 ± 0.1 kJ/mol; ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
34.68394.1N/AMajer and Svoboda, 1985 
38.4322.N/ADejoz, Cruz Burguet, et al., 1995Based on data from 307. to 393. K.; AC
38.7325.AStephenson and Malanowski, 1987Based on data from 310. to 393. K. See also Boublík and Aim, 1972.; AC
38.9315.N/APolak, Murakami, et al., 1970Based on data from 300. to 380. K. See also Boublik, Fried, et al., 1984.; AC
37.6348.N/AFried, Gallant, et al., 1967Based on data from 333. to 373. K.; AC

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
301.03 to 380.844.180561440.819-49.171Polak, Murakami, et al., 1970Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
10.880250.81Novoselova, Rabinovich, et al., 1986DH
10.88250.8Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
43.38250.81Novoselova, Rabinovich, et al., 1986DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
3.9210.Domalski and Hearing, 1996CAL
43.38250.8

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.820125. to 210.crystaline, IIcrystaline, INovoselova, Rabinovich, et al., 1986DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
5.26125. to 210.crystaline, IIcrystaline, INovoselova, Rabinovich, et al., 1986DH

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

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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

Ethane, pentachloro- = Tetrachloroethylene + Hydrogen chloride

By formula: C2HCl5 = C2Cl4 + HCl

Quantity Value Units Method Reference Comment
Δr45.1 ± 4.5kJ/molEqkLevanova, Bushneva, et al., 1979liquid phase; GC
Δr39.kJ/molEqkLevanova, Bushneva, et al., 1979gas phase

Tetrachloroethylene + Chlorine = Ethane, hexachloro-

By formula: C2Cl4 + Cl2 = C2Cl6

Quantity Value Units Method Reference Comment
Δr-153.6 ± 2.5kJ/molCmKirkbride, 1956liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -150. kJ/mol

H2CaO2 + 2Ethane, pentachloro- = CaCl2 + 2Tetrachloroethylene + 2Water

By formula: H2CaO2 + 2C2HCl5 = CaCl2 + 2C2Cl4 + 2H2O

Quantity Value Units Method Reference Comment
Δr-181.6kJ/molCmKirkbride, 1956liquid phase

Ethane, hexachloro- = Tetrachloroethylene + Chlorine

By formula: C2Cl6 = C2Cl4 + Cl2

Quantity Value Units Method Reference Comment
Δr132.6 ± 4.2kJ/molEqkPuyo, Balesdent, et al., 1963gas 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)9.326 ± 0.001eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.640 ± 0.030TDAsChen, Wiley, et al., 1994The experimental HOF of C2Cl4 has been questioned as being too positive: Curtiss, Raghavachari, et al., 7374,11CHA/DEN; B
0.499990ECDWiley, Chen, et al., 1991B

Ionization energy determinations

IE (eV) Method Reference Comment
9.3256 ± 0.0006SWilliams and Cool, 1990LL
9.51PEKimura, Katsumata, et al., 1981LLK
9.34PELake and Thompson, 1970RDSH
9.32 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
9.32PIBralsford, Harris, et al., 1960RDSH
9.5PEVon Niessen, Asbrink, et al., 1982Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CCl2+14.7?EIShapiro and Lossing, 1968RDSH

References

Go To: Top, Condensed phase thermochemistry data, Phase change 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.

Manion, 2002
Manion, J.A., Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons, J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703 . [all data]

Kirkbride, 1956
Kirkbride, F.W., The heats of chlorination of some hydrocarbons and their chloro-derivatives, J. Appl. Chem., 1956, 6, 11-21. [all data]

Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H., Heats of combustion of organic chloro compounds determined by the "quartz wool" method, Acta Chem. Scand., 1953, 7, 65. [all data]

Novoselova, Rabinovich, et al., 1986
Novoselova, N.V.; Rabinovich, I.B.; Tsvetkova, L.Ya.; Moseeva, E.M.; Babinkov, A.G., Heat capacity and thermodynamic functions of tetrachloroethylene, Zhur. Fiz. Khim., 1986, 60, 1627-1630. [all data]

Wilhelm, Lainez, et al., 1989
Wilhelm, E.; Lainez, A.; Grolier, J.-P.E., Thermodynamics of (a halogenated ethane or ethene + an n-alkane). VE and CpE of mixtures containing either 1,1,2,2-tetrachloroethane or tetrachloroethene, Fluid Phase Equilib., 1989, 49, 233-250. [all data]

Grolier, Inglese, et al., 1982
Grolier, J.-P.E.; Inglese, A.; Wilhelm, E., Excess volumes and excess heat capacities of tetrachloroethene + cyclohexane, + methylcyclohexane, + benzene, and + toluene at 298.15 K, J. Chem. Thermodynam., 1982, 14, 523-529. [all data]

Kurbatov, 1948
Kurbatov, V.Ya., Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons, Zh. Obshch. Kim., 1948, 18, 372-389. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Dreisbach and Martin, 1949
Dreisbach, R.R.; Martin, R.A., Physical Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 2875-8. [all data]

Van de Vloed, 1939
Van de Vloed, A., Bull. Soc. Chim. Belg., 1939, 48, 229. [all data]

Novoselova, Rabinovich, et al., 1986, 2
Novoselova, N.V.; Rabinovich, I.B.; Tsvetkova, L.Ya.; Moseeva, E.M.; Babinkov, A.G., Heat capacity and thermodynamic functions of tetrachloroethylene, Zh. Fiz. Khim., 1986, 60, 1627-30. [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]

Majer, Sváb, et al., 1980
Majer, V.; Sváb, L.; Svoboda, V., Enthalpies of vaporization and cohesive energies for a group of chlorinated hydrocarbons, The Journal of Chemical Thermodynamics, 1980, 12, 9, 843-847, https://doi.org/10.1016/0021-9614(80)90028-2 . [all data]

Mathews, 1926
Mathews, J.H., The accurate measurement of heats of vaporization of liquids, J. Am. Chem. Soc., 1926, 48, 562-576. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Dejoz, Cruz Burguet, et al., 1995
Dejoz, Ana; Cruz Burguet, M.; Munoz, Rosa; Sanchotello, Margarita, Isobaric Vapor-Liquid Equilibria of Tetrachloroethylene with 1-Butanol and 2-Butanol at 6 and 20 kPa, J. Chem. Eng. Data, 1995, 40, 1, 290-292, https://doi.org/10.1021/je00017a064 . [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]

Boublík and Aim, 1972
Boublík, T.; Aim, K., Heats of vaporization of simple non-spherical molecule compounds, Collect. Czech. Chem. Commun., 1972, 37, 11, 3513-3521, https://doi.org/10.1135/cccc19723513 . [all data]

Polak, Murakami, et al., 1970
Polak, Jiri; Murakami, Sachio; Lam, V.T.; Benson, George C., Excess enthalpy, volume, and Gibbs free energy of cyclopentane-tetrachloroethylene mixtures at 25.deg., J. Chem. Eng. Data, 1970, 15, 2, 323-328, https://doi.org/10.1021/je60045a041 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Fried, Gallant, et al., 1967
Fried, Vojtech; Gallant, Paul; Schneier, Gary B., Vapor-liquid equilibrium in the system pyridine-tetrachloroethylene, J. Chem. Eng. Data, 1967, 12, 4, 504-508, https://doi.org/10.1021/je60035a011 . [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]

Levanova, Bushneva, et al., 1979
Levanova, s.V.; Bushneva, I.I.; Rodova, R.M.; Rozhnov, A.M.; Treger, Yu.A.; Aprelkin, A.S., Thermodynamic stability of chloroethanes in dehydrochlorination reactions, J. Appl. Chem. USSR, 1979, 52, 1439-1442. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Puyo, Balesdent, et al., 1963
Puyo, J.; Balesdent, D.; Niclause, M.; Dzierzynski, M., Etude analytique et thermodynamique de la pyrolyse de l'hexachloroethane en phase gazeuse., Compt. Rend., 1963, 256, 3471-3473. [all data]

Chen, Wiley, et al., 1994
Chen, E.C.M.; Wiley, J.R.; Batten, C.F.; Wentworth, W.E., Determination of the Electron Affinities of Molecules Using Negative Ion Mass Spectrometry, J. Phys. Chem., 1994, 98, 1, 88, https://doi.org/10.1021/j100052a016 . [all data]

Curtiss, Raghavachari, et al., 7374
Curtiss, L.A.; Raghavachari, K.; Redfern, P.C.; Pople, J.A., Assesment of Gaussian-3 and density Functional Theories for a larger experimental test set, J. Chem. Phys. 112 (2000), 7374. [all data]

Wiley, Chen, et al., 1991
Wiley, J.R.; Chen, E.C.M.; Chen, E.S.D.; Richardson, P.; Reed, W.R.; Wentworth, W.E., The Determination of Absolute Electron Affinities of Chlorobenzenes, Chloronaphthalenes and Chlorinated Biphenyls from Reduction Potentials, J. Electroanal. Chem. Interfac., 1991, 307, 1-2, 169, https://doi.org/10.1016/0022-0728(91)85546-2 . [all data]

Williams and Cool, 1990
Williams, B.A.; Cool, T.A., Multiphoton spectroscopy of Rydberg states of tetrachloroethylene, J. Chem. Phys., 1990, 93, 1521. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Lake and Thompson, 1970
Lake, R.F.; Thompson, H., Photoelectron spectra of halogenated ethylenes, Proc. Roy. Soc. (London), 1970, A315, 323. [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]

Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C., The effect of fluorine on the electronic spectra and ionization potentials of molecules, Proc. Roy. Soc. (London), 1960, A258, 459. [all data]

Von Niessen, Asbrink, et al., 1982
Von Niessen, W.; Asbrink, L.; Bieri, G., 30.4 nm He(II) Photoelectron spectra of organic molecules. Part VI. Halogeno-compounds (C,H,X: X = Cl, Br, I), J. Electron Spectrosc. Relat. Phenom., 1982, 26, 173. [all data]

Shapiro and Lossing, 1968
Shapiro, J.S.; Lossing, F.P., Free radicals by mass spectrometry. XXXVII. The ionization potential and heat of formation of dichlorocarbene, J. Phys. Chem., 1968, 72, 1552. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, References