Cyanogen chloride
- Formula: CClN
- Molecular weight: 61.470
- 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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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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 137.95 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1966 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 236.33 | J/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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 600. | 600. to 6000. |
---|---|---|
A | 18.92302 | 54.95642 |
B | 135.0231 | 5.935297 |
C | -199.8630 | -1.087673 |
D | 114.0684 | 0.082180 |
E | 0.074149 | -2.019144 |
F | 128.0898 | 115.5742 |
G | 227.2644 | 292.5988 |
H | 137.9461 | 137.9461 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1966 | Data last reviewed in June, 1966 |
Condensed 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°solid | 137.8 ± 4.2 | kJ/mol | Cm | Lord and Woolf, 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = 132. kJ/mol; Heat of Hydrolysis |
Phase change 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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
32.2 | 271. | Stull, 1947 | Based on data from 196. to 286. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
196.5 to 286.3 | 4.66177 | 1074.1 | -54.458 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
35.7 | 228. | A | Stull, 1947 | Based on data from 196. to 259. K.; AC |
Reaction 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
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° | -277.5 ± 0.4 | kJ/mol | Cm | Lord and Woolf, 1954 | solid phase; Heat of Hydrolysis |
Gas phase ion energetics 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 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) | 722.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 691.5 | kJ/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 |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 173 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, 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]
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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, 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 ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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