Chemical Properties of KETOPROFEN ME-ESTER

InChI

InChI=1S/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3

InChI Key

BIOCOYIPJQMGTN-UHFFFAOYSA-N

Formula

C17H16O3

SMILES

COC(=O)C(C)c1cccc(C(=O)c2ccccc2)c1

Molecular Weight¹

268.31

Other Names

• Ketoprofen methyl derivative
• Ketoprofen, methylated

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.10; 653.95]	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			-3.49900e+01
Coefficient B			1.32464e+00
Coefficient C			-7.86260e-04
Coefficient D			1.50560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.10	J/mol×K	273.00	Calculated Property
Cp,gas	341.90	J/mol×K	353.78	Calculated Property
Cp,gas	404.52	J/mol×K	434.56	Calculated Property
Cp,gas	459.44	J/mol×K	515.33	Calculated Property
Cp,gas	507.14	J/mol×K	596.11	Calculated Property
Cp,gas	548.09	J/mol×K	676.89	Calculated Property
Cp,gas	582.77	J/mol×K	757.67	Calculated Property
Cp,gas	611.66	J/mol×K	838.44	Calculated Property
Cp,gas	635.22	J/mol×K	919.22	Calculated Property
Cp,gas	653.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013265; 0.0001198]	Pa×s	[423.97; 697.26]	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			-1.27588e+01
Coefficient B			2.60047e+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.			423.97
Temperature range, max.			697.26
η	0.0013265	Pa×s	423.97	Calculated Property
η	0.0008804	Pa×s	454.34	Calculated Property
η	0.0006151	Pa×s	484.70	Calculated Property
η	0.0004483	Pa×s	515.07	Calculated Property
η	0.0003385	Pa×s	545.43	Calculated Property
η	0.0002632	Pa×s	575.80	Calculated Property
η	0.0002099	Pa×s	606.16	Calculated Property
η	0.0001711	Pa×s	636.53	Calculated Property
η	0.0001420	Pa×s	666.89	Calculated Property
η	0.0001198	Pa×s	697.26	Calculated Property

Similar Compounds

Find more compounds similar to KETOPROFEN ME-ESTER.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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