- Formula: C2Cl6
- Molecular weight: 236.739
- IUPAC Standard InChI:
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- 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
- 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 ion energetics data
Go To: Top, References, Notes
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess
Electron affinity determinations
|1.479 ± 0.095||SI||Gaines, Kay, et al., 1966||The Magnetron method, lacking mass analysis, is not considered reliable. G3MP2B3 calculations indicate an EA of ca. 1.1 eV.; B|
Ionization energy determinations
|11.1||PE||Kimura, Katsumata, et al., 1981||LLK|
|11.22||PE||Kimura, Katsumata, et al., 1981||Vertical value; LLK|
|11.22||PE||Katsumata and Kimura, 1975||Vertical value; LLK|
Go To: Top, Gas phase ion energetics data, Notes
Gaines, Kay, et al., 1966
Gaines, A.F.; Kay, J.; Page, F.M., Determination of Electron Affinities. Part 8. - CCl4, CHCl3, and CH2Cl2, Trans. Farad. Soc., 1966, 62, 874, https://doi.org/10.1039/tf9666200874 . [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]
Katsumata and Kimura, 1975
Katsumata, S.; Kimura, K., Photoelectron spectra and sum rule consideration. Effect of chlorine substitution on ionization energies for chloroethanes, chloroacetaldehydes and chloroacetyl chlorides, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 309. [all data]
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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