- Formula: C2HCl5
- Molecular weight: 202.294
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: BNIXVQGCZULYKV-UHFFFAOYSA-N
- CAS Registry Number: 76-01-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Pentachloroethane; Pentalin; CHCl2CCl3; Ethane pentachloride; NCI-C53894; Pentachloorethaan; Pentachloraethan; Pentachlorethane; Pentacloroetano; Rcra waste number U184; UN 1669; Pentaline; Ethane, 1,1,1,2,2-pentachloro-
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Gas phase ion energetics data
Go To: Top, 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:
B - John E. Bartmess
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
|11.0||PE||Katsumata and Kimura, 1975||LLK|
|11.28||PE||Katsumata and Kimura, 1975||Vertical value; LLK|
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|CCl3+||11.5 ± 0.1||CHCl2||EI||Harrison and Shannon, 1962||RDSH|
C2Cl5- + =
By formula: C2Cl5- + H+ = C2HCl5
|rH°||372.6 ± 2.5||kcal/mol||D-EA||Gaines, Kay, et al., 1966||gas phase; The Magnetron method, lacking mass analysis, is not considered reliable. G3MP2B3 calculations indicate an EA of ca. 3.2 eV; B|
Go To: Top, Gas phase ion energetics data, Notes
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]
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]
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]
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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