Chemical Properties of Flurbiprofen, hydroxy, bis-methylated

InChI

InChI=1S/C17H17FO3/c1-11(17(19)21-3)13-6-9-15(16(18)10-13)12-4-7-14(20-2)8-5-12/h4-11H,1-3H3

InChI Key

KETBZMOPTVEHCA-UHFFFAOYSA-N

Formula

C17H17FO3

SMILES

COC(=O)C(C)c1ccc(-c2ccc(OC)cc2)c(F)c1

Molecular Weight¹

288.31

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_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

Property	Value	Unit	Source
ω	0.6514		Relay (1.0) Calculated Property
ΔfG°	-247.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-583.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.23	kJ/mol	Joback Calculated Property
ΔvapH°	97.29	kJ/mol	Relay (1.0) Calculated Property
IE	7.86	eV	Relay (1.0) Calculated Property
log10WS	-4.48		Relay (1.0) Calculated Property
logPoct/wat	3.778		Crippen Calculated Property
McVol	217.950	ml/mol	McGowan Calculated Property
Pc	1991.21	kPa	Joback Calculated Property
Inp	[2180.00; 2180.00]
Inp	2180.00		NIST
Inp	2180.00		NIST
Tboil	624.84	K	Relay (1.0) Calculated Property
Tc	860.68	K	Relay (1.0) Calculated Property
Tfus	360.11	K	Relay (1.0) Calculated Property
Vc	0.783	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[604.77; 678.51]	J/mol×K	[754.20; 977.22]
Cp,gas	604.77	J/mol×K	754.20	Joback Calculated Property
Cp,gas	619.86	J/mol×K	791.37	Joback Calculated Property
Cp,gas	633.81	J/mol×K	828.54	Joback Calculated Property
Cp,gas	646.63	J/mol×K	865.71	Joback Calculated Property
Cp,gas	658.34	J/mol×K	902.88	Joback Calculated Property
Cp,gas	668.96	J/mol×K	940.05	Joback Calculated Property
Cp,gas	678.51	J/mol×K	977.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Flurbiprofen, hydroxy, bis-methylated.

Sources

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

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