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
View 3d structure (requires JavaScript / HTML 5) - 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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Gas phase thermochemistry data
Go To: Top, 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 32.971 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 56.484 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1966 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 600. | 600. to 6000. |
|---|---|---|
| A | 4.522711 | 13.13490 |
| B | 32.27130 | 1.418571 |
| C | -47.76840 | -0.259960 |
| D | 27.26300 | 0.019641 |
| E | 0.017722 | -0.482587 |
| F | 30.61420 | 27.62290 |
| G | 54.31750 | 69.93279 |
| H | 32.96991 | 32.96991 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1966 | Data last reviewed in June, 1966 |
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 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, 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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