Ethane, 1,1,2-trichloro-
- Formula: C2H3Cl3
- Molecular weight: 133.404
- IUPAC Standard InChIKey: UBOXGVDOUJQMTN-UHFFFAOYSA-N
- CAS Registry Number: 79-00-5
- 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. - Other names: β-T; β-Trichloroethane; Trichloroethane; Vinyl trichloride; 1,1,2-Trichloroethane; 1,2,2-Trichloroethane; CHCl2CH2Cl; Ethane trichloride; NCI-C04579; Trojchloroetan(1,1,2); Rcra waste number U227; Rcra waste number U359; 1,1,2-Trichlorethane; NSC 405074
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Phase change data
Go To: Top, 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
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 |
---|---|---|---|---|---|
Tboil | 386.8 ± 0.9 | K | AVG | N/A | Average of 12 out of 13 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 237.9 | K | N/A | Golovanova and Kolesov, 1984 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 236.6 | K | N/A | Dreisbach, 1955 | Uncertainty assigned by TRC = 0.02 K; TRC |
Tfus | 236.5 | K | N/A | Timmermans and Hennaut-Roland, 1955 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 236.58 | K | N/A | Dreisbach and Martin, 1949 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 237.1 | K | N/A | Crowe and Smyth, 1950 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 602. | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 40.2 ± 0.1 | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
34.82 | 386.9 | N/A | Majer and Svoboda, 1985 | |
38.6 | 331. | A | Stephenson and Malanowski, 1987 | Based on data from 316. to 384. K.; AC |
38.2 | 317. | N/A | Stephenson and Malanowski, 1987 | Based on data from 302. to 428. K. See also Dykyj, 1970.; AC |
38.29 ± 0.63 | 330.33 | V | Williamson and Harrison, 1957 | ALS |
38.3 | 338. | N/A | Dreisbach and Shrader, 1949 | Based on data from 323. to 386. K. See also Dreisbach and Martin, 1949, 2.; 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 |
---|---|---|---|---|---|
323.12 to 386.82 | 4.06974 | 1310.297 | -64.41 | Dreisbach and Shrader, 1949 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.880 | 237.9 | Golovanova and Kolesov, 1984, 2 | DH |
11.38 | 237.1 | Domalski and Hearing, 1996 | AC |
11.380 | 237.1 | Crowe and Smyth, 1950, 2 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
45.7 | 237.9 | Golovanova and Kolesov, 1984, 2 | DH |
48.0 | 237.1 | Crowe and Smyth, 1950, 2 | DH |
Gas phase ion energetics data
Go To: Top, Phase change 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.0 | PE | Kimura, Katsumata, et al., 1981 | |
11.48 | PE | Kimura, Katsumata, et al., 1981 | Vertical value |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHCl2+ | 11.80 | CH2Cl | EI | Lossing, 1972 |
References
Go To: Top, Phase change 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.
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]
Dreisbach, 1955
Dreisbach, R.R.,
Physical Properties of Chemical Compounds, Advances in Chemistry Series No. 15, Am. Chem. Soc.: Washington, D. C., 1955. [all data]
Timmermans and Hennaut-Roland, 1955
Timmermans, J.; Hennaut-Roland, M.,
Work of the International Bureau of Physical-Chemical Standards. IX. The Physical Constants of Twenty Organic Compounds,
J. Chim. Phys. Phys.-Chim. Biol., 1955, 52, 223. [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]
Crowe and Smyth, 1950
Crowe, R.W.; Smyth, C.P.,
Heat capacities, dielectric constants and molecular rotational freedom in solid trichloroethanes and disubstituted propanes,
J. Am. Chem. Soc., 1950, 72, 4009. [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]
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]
Williamson and Harrison, 1957
Williamson, K.D.; Harrison, R.H.,
Heats of vaporization of 1,1,2-trichloroethane, 1-propanol, and 2-propanol; vapor heat capacity of 1,1,2-trichloroethane,
J. Chem. Phys., 1957, 26, 1409-14. [all data]
Dreisbach and Shrader, 1949
Dreisbach, R.R.; Shrader, S.A.,
Vapor Pressure--Temperature Data on Some Organic Compounds,
Ind. Eng. Chem., 1949, 41, 12, 2879-2880, https://doi.org/10.1021/ie50480a054
. [all data]
Dreisbach and Martin, 1949, 2
Dreisbach, R.R.; Martin, R.A.,
Physical Data on Some Organic Compounds,
Ind. Eng. Chem., 1949, 41, 12, 2875-2878, https://doi.org/10.1021/ie50480a053
. [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]
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]
Crowe and Smyth, 1950, 2
Crowe, R.W.; Smyth, C.P.,
Heat capacities, dielectric constants and molecular rotational freedom in solid trichloroethanes and disubstituted propanes,
J. Am. Chem. Soc., 1950, 72, 4009-4015. [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]
Lossing, 1972
Lossing, F.P.,
Free radicals by mass spectrometry. XLIV. Ionization potentials bond dissociation energies for chloro-and fluoromethyl radicals,
Bull. Soc. Chim. Belg., 1972, 81, 125. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature 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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