Chemical Properties of Phosgene (CAS 75-44-5)

InChI

InChI=1S/CCl2O/c2-1(3)4

InChI Key

YGYAWVDWMABLBF-UHFFFAOYSA-N

Formula

CCl2O

SMILES

O=C(Cl)Cl

Molecular Weight¹

98.92

CAS

75-44-5

Other Names

• CARBON DICHLORIDE OXIDE
• CARBON OXYCHLORIDE
• CARBONYL DICHLORIDE
• CG
• COCl2
• Carbone (oxychlorure de)
• Carbonic chloride
• Carbonic dichloride
• Carbonio (ossicloruro di)
• Carbonyl chloride
• Carbonylchlorid
• Chloroformyl chloride
• Dichloroformaldehyde
• Fosgeen
• Fosgen
• Fosgene
• Koolstofoxychloride
• NCI-C60219
• Phosgen
• Rcra waste number P095
• UN 1076

• ω : Acentric Factor.
• Δ_cH°_gas : Standard gas enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• Δ_vapS : Entropy of vaporization at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2050		KDB
ΔcH°gas	-108.60 ± 0.42	kJ/mol	NIST
μ	1.10	debye	KDB
ΔfG°	-206.90	kJ/mol	KDB
ΔfH°gas	[-221.10; -209.50]	kJ/mol
ΔfH°gas	-221.10	kJ/mol	KDB
ΔfH°gas	-220.10 ± 0.96	kJ/mol	NIST
ΔfH°gas	-219.10 ± 0.59	kJ/mol	NIST
ΔfH°gas	-209.50 ± 1.20	kJ/mol	NIST
ΔfusH°	8.34	kJ/mol	Joback Calculated Property
ΔvapH°	33.34	kJ/mol	Joback Calculated Property
IE	[11.20; 11.84]	eV
IE	11.20	eV	NIST
IE	11.55 ± 0.02	eV	NIST
IE	11.70	eV	NIST
IE	11.84	eV	NIST
log10WS	-1.30		Crippen Calculated Property
logPoct/wat	1.584		Crippen Calculated Property
McVol	51.000	ml/mol	McGowan Calculated Property
Pc	5674.00	kPa	KDB
Inp	[416.00; 425.00]
Inp	416.00		NIST
Inp	425.00		NIST
Inp	425.00		NIST
S°liquid	[192.80; 198.11]	J/mol×K
S°liquid	192.80	J/mol×K	NIST
S°liquid	198.11	J/mol×K	NIST
Tboil	280.71	K	KDB
Tc	455.15	K	KDB
Tfus	145.00	K	KDB
Ttriple	[139.19; 145.37]	K
Ttriple	139.19 ± 0.20	K	NIST
Ttriple	145.37 ± 0.02	K	NIST
Ttriple	142.09 ± 0.05	K	NIST
Ttriple	145.37 ± 0.02	K	NIST
Vc	0.190	m3/kmol	KDB
Zc	0.2850230		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[58.67; 67.23]	J/mol×K	[351.01; 550.64]
T(K) Ideal gas heat capacity (J/mol×K) 58 60 62 64 66 68 400 500
Cp,gas	58.67	J/mol×K	351.01	Joback Calculated Property
Cp,gas	60.32	J/mol×K	384.28	Joback Calculated Property
Cp,gas	61.88	J/mol×K	417.55	Joback Calculated Property
Cp,gas	63.34	J/mol×K	450.83	Joback Calculated Property
Cp,gas	64.72	J/mol×K	484.10	Joback Calculated Property
Cp,gas	66.02	J/mol×K	517.37	Joback Calculated Property
Cp,gas	67.23	J/mol×K	550.64	Joback Calculated Property
Cp,liquid	[100.79; 102.59]	J/mol×K	[160.55; 280.00]
Cp,liquid	102.59	J/mol×K	160.55	NIST
Cp,liquid	100.79	J/mol×K	280.00	NIST
η	[0.0004284; 0.0028142]	Pa×s	[210.80; 351.01]
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 250 300 350
η	0.0028142	Pa×s	210.80	Joback Calculated Property
η	0.0017584	Pa×s	234.17	Joback Calculated Property
η	0.0011966	Pa×s	257.54	Joback Calculated Property
η	0.0008681	Pa×s	280.90	Joback Calculated Property
η	0.0006616	Pa×s	304.27	Joback Calculated Property
η	0.0005242	Pa×s	327.64	Joback Calculated Property
η	0.0004284	Pa×s	351.01	Joback Calculated Property
ΔfusH	[5.73; 5.74]	kJ/mol	[145.30; 145.37]
ΔfusH	5.73	kJ/mol	145.30	NIST
ΔfusH	5.74	kJ/mol	145.37	NIST
ΔvapH	[24.40; 27.00]	kJ/mol	[226.50; 430.50]
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 24.5 25 25.5 26 26.5 27 250 300 350 400
ΔvapH	25.80	kJ/mol	226.50	NIST
ΔvapH	27.00	kJ/mol	231.50	NIST
ΔvapH	25.70	kJ/mol	260.50	NIST
ΔvapH	24.40	kJ/mol	280.71	NIST
ΔvapH	24.50	kJ/mol	310.50	NIST
ΔvapH	24.50	kJ/mol	374.00	NIST
ΔvapH	24.40	kJ/mol	430.50	NIST
ρl	1381.00	kg/m3	293.00	KDB
ΔfusS	39.46	J/mol×K	145.37	NIST
ΔvapS	86.93	J/mol×K	280.71	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[9.20e-04; 5712.92]	kPa	[145.37; 455.00]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44269e+01
Coefficient B			-2.44909e+03
Coefficient C			-3.10200e+01
Temperature range, min.			145.37
Temperature range, max.			455.00
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 6000 200 300 400
Pvap	9.20e-04	kPa	145.37	Calculated Property
Pvap	0.13	kPa	179.77	Calculated Property
Pvap	2.87	kPa	214.18	Calculated Property
Pvap	23.80	kPa	248.58	Calculated Property
Pvap	110.71	kPa	282.98	Calculated Property
Pvap	355.89	kPa	317.39	Calculated Property
Pvap	890.58	kPa	351.79	Calculated Property
Pvap	1865.78	kPa	386.19	Calculated Property
Pvap	3430.19	kPa	420.60	Calculated Property
Pvap	5712.92	kPa	455.00	Calculated Property

Similar Compounds

Find more compounds similar to Phosgene.

Sources

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

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