Ethane, hexachloro-
- Formula: C2Cl6
- Molecular weight: 236.739
- IUPAC Standard InChI: InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8
- 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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Reaction thermochemistry data
Go To: Top, 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
+
=
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 |
Vibrational and/or electronic energy levels
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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: Takehiko Shimanouchi
Symmetry: D3d Symmetry Number σ = 6
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1g | 1 | CC str | 975 | C | ia | 975 | sln. | |||
| a1g | 2 | CCl3 str | 431 | C | ia | 431 | sln. | |||
| a1g | 3 | CCl3 s-deform | 170 | C | ia | 170 | sln. | |||
| a1u | 4 | Torsion | 61 | D | ia | ia | ||||
| a2u | 5 | CCl3 s-str | 675 | C | 675 S | sln. | ia | OC(ν4+ν10,ν4+ν11) | ||
| a2u | 6 | CCl3 s-deform | 372 | C | 372 S | sln. | ia | |||
| eg | 7 | CCl3 d-str | 859 | C | ia | 859 | sln. | |||
| eg | 8 | CCl3 d-str | 340 | C | ia | 340 | sln. | |||
| eg | 9 | CCl3 d-deform | 223 | C | ia | 223 | sln. | |||
| eu | 10 | CCl3 rock | 778 | C | 778 VS | sln. | ia | |||
| eu | 11 | CCl3 d-deform | 271 | C | 271 S | sln. | ia | |||
| eu | 12 | CCl3 rock | 114 | C | 114 W | sln. | ia | |||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| W | Weak |
| ia | Inactive |
| OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, Reaction thermochemistry data, 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.
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]
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, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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