Chemical Properties of Fenclofenac

InChI

InChI=1S/C14H10Cl2O3/c15-10-5-6-13(11(16)8-10)19-12-4-2-1-3-9(12)7-14(17)18/h1-6,8H,7H2,(H,17,18)

InChI Key

IDKAXRLETRCXKS-UHFFFAOYSA-N

Formula

C14H10Cl2O3

SMILES

O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1Cl

Molecular Weight¹

297.14

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[251.45; 541.25]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.11310e+01
Coefficient B			9.98700e-01
Coefficient C			-6.01480e-04
Coefficient D			1.22900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.45	J/mol×K	273.00	Calculated Property
Cp,gas	304.61	J/mol×K	353.78	Calculated Property
Cp,gas	351.62	J/mol×K	434.56	Calculated Property
Cp,gas	392.88	J/mol×K	515.33	Calculated Property
Cp,gas	428.77	J/mol×K	596.11	Calculated Property
Cp,gas	459.67	J/mol×K	676.89	Calculated Property
Cp,gas	485.98	J/mol×K	757.67	Calculated Property
Cp,gas	508.09	J/mol×K	838.44	Calculated Property
Cp,gas	526.38	J/mol×K	919.22	Calculated Property
Cp,gas	541.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003810; 0.0001256]	Pa×s	[580.61; 756.08]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.26528e+01
Coefficient B			2.77541e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			580.61
Temperature range, max.			756.08
η	0.0003810	Pa×s	580.61	Calculated Property
η	0.0003262	Pa×s	600.11	Calculated Property
η	0.0002820	Pa×s	619.60	Calculated Property
η	0.0002460	Pa×s	639.10	Calculated Property
η	0.0002163	Pa×s	658.60	Calculated Property
η	0.0001916	Pa×s	678.09	Calculated Property
η	0.0001709	Pa×s	697.59	Calculated Property
η	0.0001534	Pa×s	717.09	Calculated Property
η	0.0001385	Pa×s	736.59	Calculated Property
η	0.0001256	Pa×s	756.08	Calculated Property

Similar Compounds

Find more compounds similar to Fenclofenac.

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
• Joback Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method

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