Chemical Properties of 3-Trifluoromethylbenzoic acid, 4-biphenyl ester

InChI

InChI=1S/C20H13F3O2/c21-20(22,23)17-8-4-7-16(13-17)19(24)25-18-11-9-15(10-12-18)14-5-2-1-3-6-14/h1-13H

InChI Key

VMEGFSQDDXJCIY-UHFFFAOYSA-N

Formula

C20H13F3O2

SMILES

O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(C(F)(F)F)c1

Molecular Weight¹

342.31

• 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).
• 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
ΔfG°	-380.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-611.36	kJ/mol	Joback Calculated Property
ΔfusH°	33.51	kJ/mol	Joback Calculated Property
ΔvapH°	73.68	kJ/mol	Joback Calculated Property
log10WS	-7.27		Crippen Calculated Property
logPoct/wat	5.592		Crippen Calculated Property
McVol	234.130	ml/mol	McGowan Calculated Property
Pc	1984.12	kPa	Joback Calculated Property
Inp	[2464.00; 2464.00]
Inp	2464.00		NIST
Inp	2464.00		NIST
Tboil	817.87	K	Joback Calculated Property
Tc	1058.22	K	Joback Calculated Property
Tfus	495.81	K	Joback Calculated Property
Vc	0.898	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[668.08; 731.79]	J/mol×K	[817.87; 1058.22]
Cp,gas	668.08	J/mol×K	817.87	Joback Calculated Property
Cp,gas	681.54	J/mol×K	857.93	Joback Calculated Property
Cp,gas	693.72	J/mol×K	897.99	Joback Calculated Property
Cp,gas	704.72	J/mol×K	938.04	Joback Calculated Property
Cp,gas	714.67	J/mol×K	978.10	Joback Calculated Property
Cp,gas	723.65	J/mol×K	1018.16	Joback Calculated Property
Cp,gas	731.79	J/mol×K	1058.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Trifluoromethylbenzoic acid, 4-biphenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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