Chemical Properties of Carbonic chloride fluoride (CAS 353-49-1)

InChI

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

InChI Key

OXVVNXMNLYYMOL-UHFFFAOYSA-N

Formula

CClFO

SMILES

O=C(F)Cl

Molecular Weight¹

82.46

CAS

353-49-1

Other Names

• COClF
• Carbonyl chloride fluoride
• Carbonyl chlorofluoride
• Cholan-24-oic acid, 3,7-dihydroxy-, (3a,5«beta»,7a)-
• Estra-1,3,5(10), 7-tetraen-17-one, 3-hydroxy-

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion at standard conditions (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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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
ω	0.2484		Relay (1.0) Calculated Property
ΔfG°	-378.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-419.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.22	kJ/mol	Joback Calculated Property
ΔvapH°	18.95	kJ/mol	Relay (1.0) Calculated Property
IE	12.32	eV	Relay (1.0) Calculated Property
logPoct/wat	1.315		Crippen Calculated Property
McVol	40.530	ml/mol	McGowan Calculated Property
Pc	5627.81	kPa	Joback Calculated Property
Inp	[290.00; 290.00]
Inp	290.00		NIST
Inp	290.00		NIST
Tboil	241.87	K	Relay (1.0) Calculated Property
Tc	372.06	K	Relay (1.0) Calculated Property
Tfus	109.46	K	Relay (1.0) Calculated Property
Vc	0.158	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[22.00; 22.70]	kJ/mol	[188.00; 192.00]
ΔvapH	22.70	kJ/mol	188.00	NIST
ΔvapH	22.00	kJ/mol	192.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[52.38; 68.09]	J/mol×K	[298.00; 600.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.03355e+01
Coefficient B			1.54990e+02
Coefficient C			-1.68632e+02
Coefficient D			7.28409e+01
Coefficient E			-9.69160e-02
Reference			Chase, 1998
Comment			F=-438.7008, G=261.7176, H=-426.7680; Data last reviewed in June, 1961
Temperature range, min.			298.00
Temperature range, max.			600.00
Cp,gas	52.38	J/mol×K	298.00	Calculated Property
Cp,gas	54.96	J/mol×K	331.56	Calculated Property
Cp,gas	57.26	J/mol×K	365.11	Calculated Property
Cp,gas	59.33	J/mol×K	398.67	Calculated Property
Cp,gas	61.19	J/mol×K	432.22	Calculated Property
Cp,gas	62.86	J/mol×K	465.78	Calculated Property
Cp,gas	64.36	J/mol×K	499.33	Calculated Property
Cp,gas	65.72	J/mol×K	532.89	Calculated Property
Cp,gas	66.96	J/mol×K	566.44	Calculated Property
Cp,gas	68.09	J/mol×K	600.00	Calculated Property
Cp,gas	[67.73; 83.04]	J/mol×K	[600.00; 6000.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.71002e+01
Coefficient B			4.02379e+00
Coefficient C			-9.28882e-01
Coefficient D			7.10690e-02
Coefficient E			-4.12637e+00
Reference			Chase, 1998
Comment			F=-462.0433, G=350.7041, H=-426.7680; Data last reviewed in June, 1961
Temperature range, min.			600.00
Temperature range, max.			6000.00
Cp,gas	67.73	J/mol×K	600.00	Calculated Property
Cp,gas	77.85	J/mol×K	1200.00	Calculated Property
Cp,gas	80.47	J/mol×K	1800.00	Calculated Property
Cp,gas	81.67	J/mol×K	2400.00	Calculated Property
Cp,gas	82.27	J/mol×K	3000.00	Calculated Property
Cp,gas	82.54	J/mol×K	3600.00	Calculated Property
Cp,gas	82.65	J/mol×K	4200.00	Calculated Property
Cp,gas	82.69	J/mol×K	4800.00	Calculated Property
Cp,gas	82.79	J/mol×K	5400.00	Calculated Property
Cp,gas	83.04	J/mol×K	6000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.08; 202.64]	kPa	[165.00; 241.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.66472e+01
Coefficient B			-2.73363e+03
Coefficient C			0.00000e+00
Temperature range, min.			165.00
Temperature range, max.			241.15
Pvap	1.08	kPa	165.00	Calculated Property
Pvap	2.43	kPa	173.46	Calculated Property
Pvap	5.06	kPa	181.92	Calculated Property
Pvap	9.86	kPa	190.38	Calculated Property
Pvap	18.17	kPa	198.84	Calculated Property
Pvap	31.84	kPa	207.31	Calculated Property
Pvap	53.40	kPa	215.77	Calculated Property
Pvap	86.14	kPa	224.23	Calculated Property
Pvap	134.19	kPa	232.69	Calculated Property
Pvap	202.64	kPa	241.15	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic chloride fluoride.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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