Chlorine isocyanate
- Formula: CClNO
- Molecular weight: 77.470
- IUPAC Standard InChI: InChI=1S/CClNO/c2-3-1-4
- IUPAC Standard InChIKey: IDKXMGZRWKCTGA-UHFFFAOYSA-N
- CAS Registry Number: 13858-09-8
- Chemical structure:
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Gas phase thermochemistry data
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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | >52.9 | kcal/mol | Eqk | Bell and Coombe, 1985 | or =52.9 kcal/mol |
Gas phase ion energetics data
Go To: Top, Gas 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.72 ± 0.01 | PE | Frost, MacDonald, et al., 1980 | LLK |
References
Go To: Top, Gas phase thermochemistry 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.
Bell and Coombe, 1985
Bell, D.D.; Coombe, R.D.,
Photodissociation of chlorine isocyanate,
J. Chem. Phys., 1985, 82, 1317-1322. [all data]
Frost, MacDonald, et al., 1980
Frost, D.C.; MacDonald, C.B.; McDowell, C.A.; Westwood, N.P.C.,
The HeI photoelectron spectra of the halogen azides, XN3(X=Cl and Br) and the halogen isocyanates, XNCO(X=Cl, Br and I),
Chem. Phys., 1980, 47, 111. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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