Ethane, hexachloro-
- Formula: C2Cl6
- Molecular weight: 236.739
- IUPAC Standard InChIKey: VHHHONWQHHHLTI-UHFFFAOYSA-N
- CAS Registry Number: 67-72-1
- 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: Avlothane; Carbon hexachloride; Distokal; Distopan; Distopin; Egitol; Falkitol; Fasciolin; Hexachlorethane; Hexachloroethane; Hexachloroethylene; Mottenhexe; Perchloroethane; Phenohep; CCl3CCl3; Ethane hexachloride; Ethylene hexachloride; 1,1,1,2,2,2-Hexachloroethane; Hexachlor-aethan; NCI-C04604; NA 9037; Rcra waste number U131; C2Cl6; Ethane, 1,1,1,2,2,2-hexachloro-; Fron 110; NSC 9224
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -32.079 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1967 |
ΔfH°gas | -35.4 ± 1.4 | kcal/mol | Review | Manion, 2002 | weighted average of several measurements of equilibria involving C2Cl6, CCl4, and C2Cl4; DRB |
ΔfH°gas | -34.3 ± 2.3 | kcal/mol | Eqk | Puyo, Balesdent, et al., 1963 | Reanalyzed by Cox and Pilcher, 1970, Original value = -34.7 ± 1.0 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 95.086 | cal/mol*K | Review | Chase, 1998 | Data 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1200. | 1200. to 6000. |
---|---|---|
A | 31.16840 | 46.13241 |
B | 28.67139 | -1.441850 |
C | -24.10141 | 0.241066 |
D | 7.204281 | -0.014623 |
E | -0.405846 | -2.449080 |
F | -43.81341 | -52.07151 |
G | 122.9810 | 142.3080 |
H | -32.08009 | -32.08009 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1967 | Data last reviewed in September, 1967 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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:
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 | -47.6 ± 1.5 | kcal/mol | Review | Manion, 2002 | derived from recommended ΔfHgas° and ΔvapH°; DRB |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -174. ± 2. | kcal/mol | Ccb | Smith, Bjellerup, et al., 1953 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 56.72 | cal/mol*K | N/A | Rakhmenkulov, Gutov, et al., 1975 | Entropy estimated at 13 K to be 3.10 J/mol*K.; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
47.380 | 298.15 | Rakhmenkulov, Gutov, et al., 1975 | T = 13.7 to 360 K.; DH |
52.10 | 298.5 | Seki and Momotani, 1950 | T = 295 to 351 K. Unsmoothed experimental datum.; DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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: 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
By formula: C2Cl4 + Cl2 = C2Cl6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -36.70 ± 0.60 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -37. kcal/mol |
By formula: C2Cl6 = C2Cl4 + Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31.7 ± 1.0 | kcal/mol | Eqk | Puyo, Balesdent, et al., 1963 | gas phase |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, 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]
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]
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]
Rakhmenkulov, Gutov, et al., 1975
Rakhmenkulov, S.S.; Gutov, S.A.; Paukov, I.E.,
The heat capacity of hexachloroethane in the temperature range 13.7-360 K and the temperatures and enthalpies of its phase transition,
Zhur. Fiz. Khim., 1975, 49, 2722. [all data]
Seki and Momotani, 1950
Seki, S.; Momotani, M.,
Heats of transition of hexachloroethane,
Bull. Chem. Soc. Japan, 1950, 23, 30-31. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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