Chemical Properties of Fenofibrate

InChI

InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3

InChI Key

YMTINGFKWWXKFG-UHFFFAOYSA-N

Formula

C20H21ClO4

SMILES

CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1

Molecular Weight¹

360.84

Other Names

• 2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester
• 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid, isopropyl ester (fenofibrate)
• Ankebin
• Antara
• Elasterin
• Fenobrate
• Fenogal
• Fenotard
• Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate
• Isopropyl 2-[p-(p-chlorobenzoyl)phenoxy]-2-methylpropionate
• Lipanthyl
• Lipantil
• Lipidex
• Lipidil
• Lipifen
• Lipirex
• Lipoclar
• Lipofene
• Liposit
• Lipsin
• NSC 281319
• Nolipax
• Procetofen
• Procetofene
• Procetoken
• Proctofene
• Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester
• Protolipan
• Secalip
• Sedufen
• Tricor

• 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_fusH : Enthalpy of fusion at a given temperature (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

Property	Value	Unit	Source
ΔfusH°	35.28	kJ/mol	Joback Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-5.14		Relay (1.0) Calculated Property
logPoct/wat	4.680		Crippen Calculated Property
McVol	272.260	ml/mol	McGowan Calculated Property
Tboil	658.09	K	Relay (1.0) Calculated Property
Tfus	[352.05; 355.15]	K
Tfus	352.05	K	Thermodynamics of fenofibrate and solubility in pure organic solvents
Tfus	355.15	K	Phase equilibria of the binary systems of fenofibrate and dense gases (carbon dioxide, propane, trifluoromethane)
Tfus	354.75	K	Differential scanning calorimetry and thermally stimulated depolarization currents study on the molecular dynamics in amorphous fenofibrate
Tfus	353.62	K	Solubility of Fenofibrate in Different Binary Solvents: Experimental Data and Results of Thermodynamic Modeling

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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[364.64; 833.92]	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			-9.50000e+00
Coefficient B			1.61958e+00
Coefficient C			-9.63620e-04
Coefficient D			1.87460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.64	J/mol×K	273.00	Calculated Property
Cp,gas	451.17	J/mol×K	353.78	Calculated Property
Cp,gas	527.71	J/mol×K	434.56	Calculated Property
Cp,gas	594.87	J/mol×K	515.33	Calculated Property
Cp,gas	653.24	J/mol×K	596.11	Calculated Property
Cp,gas	703.40	J/mol×K	676.89	Calculated Property
Cp,gas	745.96	J/mol×K	757.67	Calculated Property
Cp,gas	781.51	J/mol×K	838.44	Calculated Property
Cp,gas	810.63	J/mol×K	919.22	Calculated Property
Cp,gas	833.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0093795; 0.0000496]	Pa×s	[353.89; 788.55]	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			-1.41796e+01
Coefficient B			3.36564e+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.			353.89
Temperature range, max.			788.55
η	0.0093795	Pa×s	353.89	Calculated Property
η	0.0029937	Pa×s	402.19	Calculated Property
η	0.0012206	Pa×s	450.48	Calculated Property
η	0.0005921	Pa×s	498.78	Calculated Property
η	0.0003264	Pa×s	547.07	Calculated Property
η	0.0001981	Pa×s	595.37	Calculated Property
η	0.0001296	Pa×s	643.66	Calculated Property
η	0.0000900	Pa×s	691.96	Calculated Property
η	0.0000655	Pa×s	740.25	Calculated Property
η	0.0000496	Pa×s	788.55	Calculated Property

Similar Compounds

Find more compounds similar to Fenofibrate.

Mixtures

• Carbon dioxide + Fenofibrate
• Propane + Fenofibrate
• Methane, trifluoro- + Fenofibrate
• Methyl Alcohol + Fenofibrate
• Ethanol + Fenofibrate
• 1-Propanol + Fenofibrate
• 2-Propanol + Fenofibrate
• Ethyl Acetate + Fenofibrate
• Acetonitrile + Fenofibrate
• Acetone + Fenofibrate
• Ethanol + Water + Fenofibrate
• Acetone + Water + Fenofibrate

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
• Thermodynamics of fenofibrate and solubility in pure organic solvents
• Phase equilibria of the binary systems of fenofibrate and dense gases (carbon dioxide, propane, trifluoromethane)
• Differential scanning calorimetry and thermally stimulated depolarization currents study on the molecular dynamics in amorphous fenofibrate
• Solubility of Fenofibrate in Different Binary Solvents: Experimental Data and Results of Thermodynamic Modeling
• Joback Method
• McGowan Method
• NIST Webbook

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