Ethane, 1,1,2,2-tetrachloro-
- Formula: C2H2Cl4
- Molecular weight: 167.849
- IUPAC Standard InChIKey: QPFMBZIOSGYJDE-UHFFFAOYSA-N
- CAS Registry Number: 79-34-5
- 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. - Species with the same structure:
- Other names: S-Tetrachloroethane; Acetylene tetrachloride; Bonoform; Cellon; Tetrachloroethane; 1,1,2,2-Tetrachloroethane; (CHCl2)2; NCI-C03554; Tetrachlorethane; Tetrachlorure d'acetylene; 1,1-Dichloro-2,2-dichloroethane; 1,1,2,2-Czterochloroetan; 1,1,2,2-Tetrachloorethaan; 1,1,2,2-Tetrachloraethan; 1,1,2,2-Tetrachlorethane; 1,1,2,2-Tetracloroetano; Rcra waste number U209; sym-Tetrachloroethane; UN 1702; Westron; Acetosol; NSC 60912; Ethane, tetrachloro-
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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:
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 |
---|---|---|---|---|---|
ΔfH°liquid | -202.4 ± 3.5 | kJ/mol | Review | Manion, 2002 | weighted average of several measurements; DRB |
ΔfH°liquid | -195.4 ± 8.4 | kJ/mol | Cm | Kirkbride, 1956 | Reanalyzed by Cox and Pilcher, 1970, Original value = -199. kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -972.8 ± 8.4 | kJ/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -971. ± 8. kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 244.3 | J/mol*K | N/A | Kosarukina, Kolesov, et al., 1982 | DH |
S°liquid | 247.0 | J/mol*K | N/A | Kosarukina, Kolesov, et al., 1982 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
168.00 | 298.15 | Wilhelm, Lainez, et al., 1989 | DH |
165.4 | 298.15 | Kosarukina, Kolesov, et al., 1982 | T = 8 to 300 K.; DH |
165.4 | 298.15 | Kosarukina, Kolesov, et al., 1982 | T = 8 to 300 K.; DH |
165.3 | 298. | Kurbatov, 1948 | T = 15 to 145°C, mean Cp four temperatures.; 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:
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 |
---|---|---|---|---|---|
Tboil | 419.3 ± 0.3 | K | AVG | N/A | Average of 19 out of 20 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 229.7 | K | N/A | Timmermans, 1927 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 230.8 | K | N/A | Kosarukina, Kolesov, et al., 1982, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Ttriple | 230.3 | K | N/A | Kosarukina, Kolesov, et al., 1982, 2 | Crystal phase 2 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 644.5 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 45.72 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 45.73 ± 0.09 | kJ/mol | Review | Manion, 2002 | weighted average of several measurements plus a correction for non-ideality; DRB |
ΔvapH° | 45.78 ± 0.16 | kJ/mol | C | Laynez and Wadso, 1972 | ALS |
ΔvapH° | 45.8 ± 0.2 | kJ/mol | C | Laynez, Wadsö, et al., 1972 | AC |
ΔvapH° | 45.2 ± 1.3 | kJ/mol | V | Mathews, 1926 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 38.7 ± 0.3 kJ/mol; ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
37.64 | 419.4 | N/A | Majer and Svoboda, 1985 | |
42.5 | 358. | EB | Teodorescu, Barhala, et al., 2006 | Based on data from 343. to 418. K.; AC |
40.4 | 392. | A | Stephenson and Malanowski, 1987 | Based on data from 377. to 419. K.; AC |
41.9 | 343. | A | Stephenson and Malanowski, 1987 | Based on data from 328. to 464. K. See also Dykyj, 1970.; AC |
40.8 | 394. | N/A | Castellari, Comelli, et al., 1984 | Based on data from 371. to 419. K.; AC |
40.1 | 398. | N/A | Sundaram and Viswanath, 1978 | Based on data from 377. to 418. K.; AC |
39. | 415. | N/A | Rao and Viswanath, 1977 | AC |
47.7 | 313. | N/A | Matthews, Sumner, et al., 1950 | Based on data from 298. to 403. K.; AC |
45.7 | 319. | N/A | Nelson, 1930 | Based on data from 304. to 419. 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 |
---|---|---|---|---|---|
298. to 403. | 3.21563 | 959.602 | -123.372 | Matthews, Sumner, et al., 1950, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.17 | 230.8 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.62 | 207.3 | Domalski and Hearing, 1996 | CAL |
39.74 | 230.8 | ||
1.74 | 204.8 | ||
41.5 | 230.3 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.544 | 207.3 | crystaline, II | crystaline, I | Kosarukina, Kolesov, et al., 1982 | DH |
9.172 | 230.8 | crystaline, I | liquid | Kosarukina, Kolesov, et al., 1982 | DH |
0.356 | 204.8 | crystaline, II | crystaline, I | Kosarukina, Kolesov, et al., 1982 | DH |
9.521 | 230.3 | crystaline, II | liquid | Kosarukina, Kolesov, et al., 1982 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
2.62 | 207.3 | crystaline, II | crystaline, I | Kosarukina, Kolesov, et al., 1982 | DH |
39.79 | 230.8 | crystaline, I | liquid | Kosarukina, Kolesov, et al., 1982 | DH |
1.74 | 204.8 | crystaline, II | crystaline, I | Kosarukina, Kolesov, et al., 1982 | DH |
41.51 | 230.3 | crystaline, II | liquid | Kosarukina, Kolesov, et al., 1982 | 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 |
---|---|---|---|
≤11.62 | PE | Kimura, Katsumata, et al., 1981 | LLK |
11.10 ± 0.05 | EI | Harrison and Shannon, 1962 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHCl2+ | 11.6 ± 0.1 | CHCl2 | EI | Harrison and Shannon, 1962 | RDSH |
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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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 |
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.
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]
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]
Harrison and Shannon, 1962
Harrison, A.G.; Shannon, T.W.,
An electron impact study of chloromethyl and dichloromethyl derivatives,
Can. J. Chem., 1962, 40, 1730. [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:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point 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 ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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