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Tetrachloroethylene

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Gas 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

Quantity Value Units Method Reference Comment
Deltafgas-12.43kJ/molReviewChase, 1998Data last reviewed in September, 1967
Deltafgas-24. ± 4.kJ/molReviewManion, 2002weighted average of several measurements of equilibria involving C2Cl6,CCl4, C2Cl4, C2HCl5, and C2HCl3; DRB
Deltafgas-15.kJ/molCmKirkbride, 1956ALS
Quantity Value Units Method Reference Comment
gas,1 bar343.42J/mol*KReviewChase, 1998Data last reviewed in September, 1967

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1100.1100. - 6000.
A 72.76227131.6291
B 130.95460.825549
C -111.9299-0.179961
D 34.697660.013780
E -0.644470-6.485786
F -41.18395-69.40294
G 393.4684476.3651
H -12.42602-12.42602
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1967 Data last reviewed in September, 1967

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
Deltafliquid-64. ± 4.kJ/molReviewManion, 2002derived from recommended «DELTA»fHgas° and «DELTA»vapH°; DRB
Deltafliquid-54.4kJ/molCmKirkbride, 1956ALS
Quantity Value Units Method Reference Comment
Deltacliquid-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
Deltavap39.72kJ/molN/AMajer and Svoboda, 1985 
Deltavap39.72 ± 0.05kJ/molReviewManion, 2002weighted average of several measurements plus a correction for non-ideality; DRB
Deltavap39.7 ± 0.1kJ/molCMajer, Sváb, et al., 1980AC
Deltavap39.7 ± 0.84kJ/molVMathews, 1926Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 34.7 ± 0.1 kJ/mol; ALS

Enthalpy of vaporization

DeltavapH (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. - 393. K.; AC
38.7325.AStephenson and Malanowski, 1987Based on data from 310. - 393. K. See also Boublík and Aim, 1972.; AC
38.9315.N/APolak, Murakami, et al., 1970Based on data from 300. - 380. K. See also Boublik, Fried, et al., 1984.; AC
37.6348.N/AFried, Gallant, et al., 1967Based on data from 333. - 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 - 380.844.180561440.819-49.171Polak, Murakami, et al., 1970Coefficents calculated by NIST from author's data.

Enthalpy of fusion

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

Entropy of fusion

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

Entropy of fusion

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

Enthalpy of phase transition

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

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
5.26125. - 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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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

Ethane, pentachloro- = Tetrachloroethylene + Hydrogen chloride

By formula: C2HCl5 = C2Cl4 + HCl

Quantity Value Units Method Reference Comment
Deltar45.1 ± 4.5kJ/molEqkLevanova, Bushneva, et al., 1979liquid phase; GC
Deltar39.kJ/molEqkLevanova, Bushneva, et al., 1979gas phase

Tetrachloroethylene + Chlorine = Ethane, hexachloro-

By formula: C2Cl4 + Cl2 = C2Cl6

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

Ethane, hexachloro- = Tetrachloroethylene + Chlorine

By formula: C2Cl6 = C2Cl4 + Cl2

Quantity Value Units Method Reference Comment
Deltar132.6 ± 4.2kJ/molEqkPuyo, Balesdent, et al., 1963gas phase

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty


Mass spectrum (electron ionization)

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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: 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 NIST Mass Spectrometry Data Center
NIST MS number 341689

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Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, 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: Takehiko Shimanouchi

Symmetry:   D2h     Symmetry Number sigma = 4


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

ag 1 CC str 1571  D  ia 1571 p liq.
ag 2 CCl2 s-str 447  D  ia 447 p liq.
ag 3 CCl2 scis 237  D  ia 237 p liq.
au 4 CCl2 twist 110  E  ia  ia OC(2«nu»4)
b1g 5 CCl2 a-str 1000  D  ia 1000 liq.
b1g 6 CCl2 rock 347  D  ia 347 dp liq.
b1u 7 CCl2 wag 288  D 288 M liq.  ia
b2g 8 CCl2 wag 512  D  ia 512 dp liq.
b2u 9 CCl2 a-str 908  C 908 S solid solid  ia
b2u 10 CCl2 rock 176  C 176 S liq.  ia
b3u 11 CCl2 s-str 777  C 777 S solid solid  ia
b3u 12 CCl2 scis 310  C 310 W liq.  ia

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
WWeak
iaInactive
pPolarized
dpDepolarized
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

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]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [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), Vibrational and/or electronic energy levels, References