Cyanogen chloride
- Formula: CClN
- Molecular weight: 61.470
- IUPAC Standard InChI: InChI=1S/CClN/c2-1-3
- IUPAC Standard InChIKey: QPJDMGCKMHUXFD-UHFFFAOYSA-N
- CAS Registry Number: 506-77-4
- 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: CK; Chlorine cyanide; Chlorocyan; Chlorocyanide; Chlorocyanogen; CNCl; ClCN; Chlorcyan; Cyanogen chloride ((CN)Cl); Chlorure de cyanogene; Rcra waste number P033; Cyanochloride; Chlorine cyanide (ClCN); Chlorocyanide (ClCN); Cyanochloride (CNCll); Cyanogen chloride (ClCN)
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Condensed phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 32.9 ± 1.0 | kcal/mol | Cm | Lord and Woolf, 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = 31.6 kcal/mol; Heat of Hydrolysis |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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
2 +
=
+
+ CNO.Na
By formula: 2HNaO + CClN = ClNa + H2O + CNO.Na
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -66.3 ± 0.1 | kcal/mol | Cm | Lord and Woolf, 1954 | solid phase; Heat of Hydrolysis |
Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 12.36 ± 0.02 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 172.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 165.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 12.37 | PE | Lake and Thompson, 1970 | RDSH |
| 12.34 | PE | Lake and Thompson, 1970 | RDSH |
| 12.37 ± 0.02 | PE | Heilbronner, Hornung, et al., 1970 | RDSH |
| 12.34 ± 0.01 | PI | Dibeler and Liston, 1967 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CCl+ | 17.2 ± 0.2 | N | EI | Herron and Dibeler, 1960 | RDSH |
| CN+ | 18.50 ± 0.02 | Cl | PI | Dibeler and Liston, 1967 | RDSH |
| CN+ | 18.3 ± 0.2 | Cl | EI | Herron and Dibeler, 1960 | RDSH |
| CN+ | 15.5 ± 0.2 | Cl- | EI | Herron and Dibeler, 1960 | RDSH |
| Cl+ | 17.32 ± 0.02 | CN | PI | Dibeler and Liston, 1967 | RDSH |
| Cl+ | 13.6 ± 0.1 | CN- | EI | Herron and Dibeler, 1960 | RDSH |
References
Go To: Top, Condensed phase thermochemistry data, Reaction 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.
Lord and Woolf, 1954
Lord, G.; Woolf, A.A.,
The cyanogen halides. Part III. Their heats of formation and free energies,
J. Chem. Soc., 1954, 2546-2551. [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]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Lake and Thompson, 1970
Lake, R.F.; Thompson, H.,
The photoelectron spectra of some molecules containing the C N group,
Proc. Roy. Soc. (London), 1970, A317, 187. [all data]
Heilbronner, Hornung, et al., 1970
Heilbronner, E.; Hornung, V.; Muszkat, K.A.,
Die Photoelektron-Spektren von Chlor-, Brom- und Jodcyan,
Helv. Chim. Acta, 1970, 53, 347. [all data]
Dibeler and Liston, 1967
Dibeler, V.H.; Liston, S.K.,
Mass-spectrometric study of photoionization. VIII.Dicyanogen and the cyanogen halides,
J. Chem. Phys., 1967, 47, 4548. [all data]
Herron and Dibeler, 1960
Herron, J.T.; Dibeler, V.H.,
Electron impact study of the cyanogen halides,
J. Am. Chem. Soc., 1960, 82, 1555. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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