Chemical Properties of Cyanogen chloride (CAS 506-77-4)

InChI

InChI=1S/CClN/c2-1-3

InChI Key

QPJDMGCKMHUXFD-UHFFFAOYSA-N

Formula

CClN

SMILES

N#CCl

Molecular Weight¹

61.47

CAS

506-77-4

Other Names

• CHLORINE CYANIDE
• CHLOROCYAN
• CHLOROCYANIDE
• CK
• CNCl
• Chlorcyan
• Chlorine cyanide (ClCN)
• Chlorocyanide (ClCN)
• Chlorocyanogen
• Chlorure de cyanogene
• ClCN
• Cyanochloride
• Cyanochloride (CNCll)
• Cyanogen chloride ((CN)Cl)
• Cyanogen chloride (ClCN)
• Rcra waste number P033

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	722.10	kJ/mol	NIST
BasG	691.50	kJ/mol	NIST
ΔfG°	78.79	kJ/mol	Joback Calculated Property
ΔfH°gas	85.17	kJ/mol	Joback Calculated Property
ΔfH°solid	137.80 ± 4.20	kJ/mol	NIST
ΔfusH°	4.05	kJ/mol	Joback Calculated Property
ΔvapH°	32.68	kJ/mol	Joback Calculated Property
IE	[12.34; 12.37]	eV
IE	12.36 ± 0.02	eV	NIST
IE	12.37	eV	NIST
IE	12.34	eV	NIST
IE	12.37 ± 0.02	eV	NIST
IE	12.34 ± 0.01	eV	NIST
log10WS	-0.76		Crippen Calculated Property
logPoct/wat	0.706		Crippen Calculated Property
McVol	38.570	ml/mol	McGowan Calculated Property
Pc	5281.57	kPa	Joback Calculated Property
Tboil	286.15	K	KDB
Tc	566.73	K	Joback Calculated Property
Tfus	266.65	K	KDB
Vc	0.167	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[44.03; 48.96]	J/mol×K	[361.79; 566.73]
Cp,gas	44.03	J/mol×K	361.79	Joback Calculated Property
Cp,gas	44.94	J/mol×K	395.95	Joback Calculated Property
Cp,gas	45.82	J/mol×K	430.10	Joback Calculated Property
Cp,gas	46.66	J/mol×K	464.26	Joback Calculated Property
Cp,gas	47.46	J/mol×K	498.41	Joback Calculated Property
Cp,gas	48.23	J/mol×K	532.57	Joback Calculated Property
Cp,gas	48.96	J/mol×K	566.73	Joback Calculated Property
ΔsubH	35.70	kJ/mol	227.50	NIST
ΔvapH	32.20	kJ/mol	241.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[217.83; 303.07]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42163e+01
Coefficient B			-2.10447e+03
Coefficient C			-6.67380e+01
Temperature range, min.			217.83
Temperature range, max.			303.07
Pvap	1.33	kPa	217.83	Calculated Property
Pvap	3.03	kPa	227.30	Calculated Property
Pvap	6.29	kPa	236.77	Calculated Property
Pvap	12.09	kPa	246.24	Calculated Property
Pvap	21.76	kPa	255.71	Calculated Property
Pvap	37.03	kPa	265.19	Calculated Property
Pvap	60.02	kPa	274.66	Calculated Property
Pvap	93.29	kPa	284.13	Calculated Property
Pvap	139.75	kPa	293.60	Calculated Property
Pvap	202.67	kPa	303.07	Calculated Property

Similar Compounds

Find more compounds similar to Cyanogen chloride.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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