Chemical Properties of Fenoprofen, methylated (CAS 66202-87-7)

InChI

InChI=1S/C16H16O3/c1-12(16(17)18-2)13-7-6-10-15(11-13)19-14-8-4-3-5-9-14/h3-12H,1-2H3

InChI Key

FUOQIQZCJJDBGD-UHFFFAOYSA-N

Formula

C16H16O3

SMILES

COC(=O)C(C)c1cccc(Oc2ccccc2)c1

Molecular Weight¹

256.30

CAS

66202-87-7

• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• I_np : Non-polar retention indices.
• 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, 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	[264.37; 631.84]	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			-1.59400e+01
Coefficient B			1.19444e+00
Coefficient C			-6.39560e-04
Coefficient D			9.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	264.37	J/mol×K	273.00	Calculated Property
Cp,gas	330.69	J/mol×K	353.78	Calculated Property
Cp,gas	389.96	J/mol×K	434.56	Calculated Property
Cp,gas	442.46	J/mol×K	515.33	Calculated Property
Cp,gas	488.49	J/mol×K	596.11	Calculated Property
Cp,gas	528.34	J/mol×K	676.89	Calculated Property
Cp,gas	562.31	J/mol×K	757.67	Calculated Property
Cp,gas	590.68	J/mol×K	838.44	Calculated Property
Cp,gas	613.76	J/mol×K	919.22	Calculated Property
Cp,gas	631.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012900; 0.0000999]	Pa×s	[385.00; 656.29]	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			-1.28406e+01
Coefficient B			2.38221e+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.			385.00
Temperature range, max.			656.29
η	0.0012900	Pa×s	385.00	Calculated Property
η	0.0008232	Pa×s	415.14	Calculated Property
η	0.0005582	Pa×s	445.29	Calculated Property
η	0.0003976	Pa×s	475.43	Calculated Property
η	0.0002949	Pa×s	505.58	Calculated Property
η	0.0002262	Pa×s	535.72	Calculated Property
η	0.0001785	Pa×s	565.86	Calculated Property
η	0.0001443	Pa×s	596.01	Calculated Property
η	0.0001190	Pa×s	626.15	Calculated Property
η	0.0000999	Pa×s	656.29	Calculated Property

Similar Compounds

Find more compounds similar to Fenoprofen, methylated.

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
• Joback Method
• McGowan Method
• NIST Webbook

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