Chemical Properties of Fenofibrate (CAS 49562-28-9)

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

360.83

CAS

49562-28-9

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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• 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

Property	Value	Unit	Source
ω	0.7790		Relay (1.0) Calculated Property
ΔfG°	-156.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-619.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.69	kJ/mol	Joback Calculated Property
ΔvapH°	112.86	kJ/mol	Relay (1.0) 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
Pc	1701.90	kPa	Joback Calculated Property
Tboil	658.09	K	Relay (1.0) Calculated Property
Tc	907.95	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
Vc	0.997	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[804.77; 864.82]	J/mol×K	[906.66; 1145.97]
Cp,gas	804.77	J/mol×K	906.66	Joback Calculated Property
Cp,gas	817.86	J/mol×K	946.54	Joback Calculated Property
Cp,gas	829.62	J/mol×K	986.43	Joback Calculated Property
Cp,gas	840.13	J/mol×K	1026.31	Joback Calculated Property
Cp,gas	849.45	J/mol×K	1066.20	Joback Calculated Property
Cp,gas	857.66	J/mol×K	1106.08	Joback Calculated Property
Cp,gas	864.82	J/mol×K	1145.97	Joback Calculated Property
η	[0.0000350; 0.0003631]	Pa×s	[554.70; 906.66]
η	0.0003631	Pa×s	554.70	Joback Calculated Property
η	0.0002040	Pa×s	613.36	Joback Calculated Property
η	0.0001268	Pa×s	672.02	Joback Calculated Property
η	0.0000850	Pa×s	730.68	Joback Calculated Property
η	0.0000605	Pa×s	789.34	Joback Calculated Property
η	0.0000451	Pa×s	848.00	Joback Calculated Property
η	0.0000350	Pa×s	906.66	Joback Calculated Property
ΔfusH	32.40	kJ/mol	353.70	NIST

Similar Compounds

Find more compounds similar to Fenofibrate.

Mixtures

• Methyl Alcohol + Fenofibrate
• Ethanol + Fenofibrate
• 1-Propanol + Fenofibrate
• Isopropyl Alcohol + Fenofibrate
• Ethyl Acetate + Fenofibrate
• Acetonitrile + Fenofibrate
• Acetone + Fenofibrate
• Carbon dioxide + Fenofibrate
• Propane + Fenofibrate
• Fluoroform + Fenofibrate
• Ethanol + Water + Fenofibrate
• Acetone + Water + Fenofibrate

Sources

• Cheméo Relay (1.0)
• 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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