Chemical Properties of 2-Trifluoromethylbenzoic acid, 4-methoxyphenyl ester

InChI

InChI=1S/C15H11F3O3/c1-20-10-6-8-11(9-7-10)21-14(19)12-4-2-3-5-13(12)15(16,17)18/h2-9H,1H3

InChI Key

VCESVVQFLMHISS-UHFFFAOYSA-N

Formula

C15H11F3O3

SMILES

COc1ccc(OC(=O)c2ccccc2C(F)(F)F)cc1

Molecular Weight¹

296.24

• 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°	-639.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-876.91	kJ/mol	Joback Calculated Property
ΔfusH°	27.71	kJ/mol	Joback Calculated Property
ΔvapH°	62.68	kJ/mol	Joback Calculated Property
log10WS	-4.78		Crippen Calculated Property
logPoct/wat	3.933		Crippen Calculated Property
McVol	193.310	ml/mol	McGowan Calculated Property
Pc	2239.76	kPa	Joback Calculated Property
Inp	[1870.00; 1870.00]
Inp	1870.00		NIST
Inp	1870.00		NIST
Tboil	699.21	K	Joback Calculated Property
Tc	917.54	K	Joback Calculated Property
Tfus	435.27	K	Joback Calculated Property
Vc	0.745	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[517.20; 582.49]	J/mol×K	[699.21; 917.54]
Cp,gas	517.20	J/mol×K	699.21	Joback Calculated Property
Cp,gas	530.56	J/mol×K	735.60	Joback Calculated Property
Cp,gas	542.88	J/mol×K	771.99	Joback Calculated Property
Cp,gas	554.19	J/mol×K	808.37	Joback Calculated Property
Cp,gas	564.54	J/mol×K	844.76	Joback Calculated Property
Cp,gas	573.96	J/mol×K	881.15	Joback Calculated Property
Cp,gas	582.49	J/mol×K	917.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Trifluoromethylbenzoic acid, 4-methoxyphenyl ester.

Sources

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

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