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Ethane, 1,1,2,2-tetrachloro-

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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 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-37.45 ± 0.84kcal/molReviewManion, 2002derived from recommended «DELTA»fHliquid° and «DELTA»vapH°; DRB
Deltafgas-37.2 ± 2.0kcal/molCmKirkbride, 1956Reanalyzed by Cox and Pilcher, 1970, Original value = -37.3 kcal/mol; ALS

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-48.37 ± 0.84kcal/molReviewManion, 2002weighted average of several measurements; DRB
Deltafliquid-46.7 ± 2.0kcal/molCmKirkbride, 1956Reanalyzed by Cox and Pilcher, 1970, Original value = -47.5 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-232.5 ± 2.0kcal/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -232. ± 2. kcal/mol; ALS
Quantity Value Units Method Reference Comment
liquid58.39cal/mol*KN/AKosarukina, Kolesov, et al., 1982DH
liquid59.03cal/mol*KN/AKosarukina, Kolesov, et al., 1982DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
40.153298.15Wilhelm, Lainez, et al., 1989DH
39.53298.15Kosarukina, Kolesov, et al., 1982T = 8 to 300 K.; DH
39.53298.15Kosarukina, Kolesov, et al., 1982T = 8 to 300 K.; DH
39.51298.Kurbatov, 1948T = 15 to 145°C, mean Cp four temperatures.; 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.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil419.3 ± 0.3KAVGN/AAverage of 19 out of 20 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus229.7KN/ATimmermans, 1927Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple230.8KN/AKosarukina, Kolesov, et al., 1982, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Ttriple230.3KN/AKosarukina, Kolesov, et al., 1982, 2Crystal phase 2 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc644.5KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Deltavap10.93kcal/molN/AMajer and Svoboda, 1985 
Deltavap10.93 ± 0.02kcal/molReviewManion, 2002weighted average of several measurements plus a correction for non-ideality; DRB
Deltavap10.94 ± 0.038kcal/molCLaynez and Wadso, 1972ALS
Deltavap10.9 ± 0.05kcal/molCLaynez, Wadsö, et al., 1972AC
Deltavap10.80 ± 0.30kcal/molVMathews, 1926Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 9.24 ± 0.07 kcal/mol; ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
8.996419.4N/AMajer and Svoboda, 1985 
10.2358.EBTeodorescu, Barhala, et al., 2006Based on data from 343. - 418. K.; AC
9.66392.AStephenson and Malanowski, 1987Based on data from 377. - 419. K.; AC
10.0343.AStephenson and Malanowski, 1987Based on data from 328. - 464. K. See also Dykyj, 1970.; AC
9.75394.N/ACastellari, Comelli, et al., 1984Based on data from 371. - 419. K.; AC
9.58398.N/ASundaram and Viswanath, 1978Based on data from 377. - 418. K.; AC
9.3415.N/ARao and Viswanath, 1977AC
11.4313.N/AMatthews, Sumner, et al., 1950Based on data from 298. - 403. K.; AC
10.9319.N/ANelson, 1930Based on data from 304. - 419. K.; AC

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
298. - 403.3.20992959.602-123.372Matthews, Sumner, et al., 1950, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.19230.8Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
0.626207.3Domalski and Hearing, 1996CAL
9.498230.8
0.416204.8
9.92230.3

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.130207.3crystaline, IIcrystaline, IKosarukina, Kolesov, et al., 1982DH
2.192230.8crystaline, IliquidKosarukina, Kolesov, et al., 1982DH
0.0851204.8crystaline, IIcrystaline, IKosarukina, Kolesov, et al., 1982DH
2.276230.3crystaline, IIliquidKosarukina, Kolesov, et al., 1982DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.626207.3crystaline, IIcrystaline, IKosarukina, Kolesov, et al., 1982DH
9.510230.8crystaline, IliquidKosarukina, Kolesov, et al., 1982DH
0.416204.8crystaline, IIcrystaline, IKosarukina, Kolesov, et al., 1982DH
9.921230.3crystaline, IIliquidKosarukina, Kolesov, et al., 1982DH

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

Ethane, 1,1,2,2-tetrachloro- = Hydrogen chloride + Trichloroethylene

By formula: C2H2Cl4 = HCl + C2HCl3

Quantity Value Units Method Reference Comment
Deltar13.2kcal/molEqkLevanova, Bushneva, et al., 1979liquid phase
Deltar10.7kcal/molEqkLevanova, Bushneva, et al., 1979gas phase

Ethylene, 1,2-dichloro-, (Z)- + Chlorine = Ethane, 1,1,2,2-tetrachloro-

By formula: C2H2Cl2 + Cl2 = C2H2Cl4

Quantity Value Units Method Reference Comment
Deltar-40.4kcal/molCmKirkbride, 1956liquid phase; Heat of chlorination

H2CaO2 + 2Ethane, 1,1,2,2-tetrachloro- = CaCl2 + 2Water + 2Trichloroethylene

By formula: H2CaO2 + 2C2H2Cl4 = CaCl2 + 2H2O + 2C2HCl3

Quantity Value Units Method Reference Comment
Deltar-36.kcal/molCmKirkbride, 1956liquid 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


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 NIST Mass Spectrometry Data Center
NIST MS number 341651

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.

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]

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

Kosarukina, Kolesov, et al., 1982
Kosarukina, E.A.; Kolesov, V.P.; Kuramshina, G.M.; Pentin, Yu.A., Heat capacity and thermodynamic functions and polymorphism of 1,1,2, 2-tetrachloroethane in the 8 to 300 K range, 1982, Termodin. [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]

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]

Timmermans, 1927
Timmermans, J., The Melting Point of Organic Substances, Bull. Soc. Chim. Belg., 1927, 36, 502. [all data]

Kosarukina, Kolesov, et al., 1982, 2
Kosarukina, E.A.; Kolesov, V.P.; Kuramshina, G.M.; Pentin, Y.A., Heat Capacity and thermodynamic functions and polymorphism of 1,1,2,2-tetrachloroethane in the 8 to 300 K range, Termodin. Org. Soedin., 1982, 1982, 11. [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]

Laynez and Wadso, 1972
Laynez, J.; Wadso, I., Enthalpies of vaporization of organic compounds. IX. Some halogen substituted hydrocarbons and esters, Acta Chem. Scand., 1972, 26, 3148. [all data]

Laynez, Wadsö, et al., 1972
Laynez, José; Wadsö, Ingemar; Haug, Arne; Songstad, J.; Pilotti, Åke, Enthalpies of Vaporization of Organic Compounds. IX. Some Halogen Substituted Hydrocarbons and Esters., Acta Chem. Scand., 1972, 26, 3148-3152, https://doi.org/10.3891/acta.chem.scand.26-3148 . [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]

Teodorescu, Barhala, et al., 2006
Teodorescu, Mariana; Barhala, Alexandru; Dragoescu, Dana, Isothermal (vapour+liquid) equilibria for the binary (cyclopentanone or cyclohexanone with 1,1,2,2-tetrachloroethane) systems at temperatures of (343.15, 353.15, and 363.15)K, The Journal of Chemical Thermodynamics, 2006, 38, 11, 1432-1437, https://doi.org/10.1016/j.jct.2006.01.010 . [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]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Castellari, Comelli, et al., 1984
Castellari, Carlo; Comelli, Fabio; Francesconi, Romolo, Vapor-liquid equilibria in binary systems containing 1,3-dioxolane at isobaric conditions. 4. Binary mixtures of 1,3-dioxolane with 1,4-dioxane and 1,1,2,2-tetrachloroethane, J. Chem. Eng. Data, 1984, 29, 2, 126-128, https://doi.org/10.1021/je00036a008 . [all data]

Sundaram and Viswanath, 1978
Sundaram, S.; Viswanath, D.S., Thermodynamic properties of toluene-1,1,2,2-tetrachloroethane, J. Chem. Eng. Data, 1978, 23, 1, 62-64, https://doi.org/10.1021/je60076a026 . [all data]

Rao and Viswanath, 1977
Rao, Yaddanapudi J.; Viswanath, Dabir S., Integral isobaric heats of vaporization of benzene-chloroethane systems, J. Chem. Eng. Data, 1977, 22, 1, 36-38, https://doi.org/10.1021/je60072a011 . [all data]

Matthews, Sumner, et al., 1950
Matthews, J.B.; Sumner, J.F.; Moelwyn-Hughes, E.A., The vapour pressures of certain liquids, Trans. Faraday Soc., 1950, 46, 797, https://doi.org/10.1039/tf9504600797 . [all data]

Nelson, 1930
Nelson, O.A., Vapor Pressures of Fumigants, Ind. Eng. Chem., 1930, 22, 9, 971-972, https://doi.org/10.1021/ie50249a020 . [all data]

Matthews, Sumner, et al., 1950, 2
Matthews, J.B.; Sumner, J.F.; Moelwyn-Hughes, E.A., The Vapour Pressures of Certain Liquids, Trans. Faraday Soc., 1950, 46, 797-803, https://doi.org/10.1039/tf9504600797 . [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]


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