Chemical Properties of Phosphoryl chloride fluoride (CAS 13769-76-1)

InChI

InChI=1S/Cl2FOP/c1-5(2,3)4

InChI Key

YNECJZSONMVFHE-UHFFFAOYSA-N

Formula

Cl2FOP

SMILES

O=P(F)(Cl)Cl

Molecular Weight¹

136.88

CAS

13769-76-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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

Cheméo can also estimate Normal Boiling Point Temperature, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[79.29; 104.03]	J/mol×K	[298.00; 1100.00]	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			6.53168e+01
Coefficient B			9.67127e+01
Coefficient C			-8.50063e+01
Coefficient D			2.68794e+01
Coefficient E			-7.11665e-01
Reference			Chase, 1998
Comment			F=-791.1358, G=370.1225, H=-765.6720; Data last reviewed in March, 1963
Temperature range, min.			298.00
Temperature range, max.			1100.00
Cp,gas	79.29	J/mol×K	298.00	Calculated Property
Cp,gas	86.83	J/mol×K	387.11	Calculated Property
Cp,gas	91.86	J/mol×K	476.22	Calculated Property
Cp,gas	95.45	J/mol×K	565.33	Calculated Property
Cp,gas	98.07	J/mol×K	654.44	Calculated Property
Cp,gas	99.99	J/mol×K	743.56	Calculated Property
Cp,gas	101.40	J/mol×K	832.67	Calculated Property
Cp,gas	102.45	J/mol×K	921.78	Calculated Property
Cp,gas	103.29	J/mol×K	1010.89	Calculated Property
Cp,gas	104.03	J/mol×K	1100.00	Calculated Property
Cp,gas	[103.99; 107.94]	J/mol×K	[1100.00; 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			1.07436e+02
Coefficient B			3.62855e-01
Coefficient C			-7.31100e-02
Coefficient D			5.04200e-03
Coefficient E			-4.54734e+00
Reference			Chase, 1998
Comment			F=-810.5077, G=431.0482, H=-765.6720; Data last reviewed in March, 1963
Temperature range, min.			1100.00
Temperature range, max.			6000.00
Cp,gas	103.99	J/mol×K	1100.00	Calculated Property
Cp,gas	106.18	J/mol×K	1644.44	Calculated Property
Cp,gas	106.98	J/mol×K	2188.89	Calculated Property
Cp,gas	107.38	J/mol×K	2733.33	Calculated Property
Cp,gas	107.59	J/mol×K	3277.78	Calculated Property
Cp,gas	107.72	J/mol×K	3822.22	Calculated Property
Cp,gas	107.81	J/mol×K	4366.67	Calculated Property
Cp,gas	107.86	J/mol×K	4911.11	Calculated Property
Cp,gas	107.91	J/mol×K	5455.56	Calculated Property
Cp,gas	107.94	J/mol×K	6000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phosphoryl chloride fluoride.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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