Chemical Properties of 2,4,5-Trifluoro-3-methoxybenzoic acid, 3-methylphenyl ester

InChI

InChI=1S/C15H11F3O3/c1-8-4-3-5-9(6-8)21-15(19)10-7-11(16)13(18)14(20-2)12(10)17/h3-7H,1-2H3

InChI Key

CMTRCIXUUHEUFD-UHFFFAOYSA-N

Formula

C15H11F3O3

SMILES

COc1c(F)c(F)cc(C(=O)Oc2cccc(C)c2)c1F

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°	-671.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-902.57	kJ/mol	Joback Calculated Property
ΔfusH°	33.96	kJ/mol	Joback Calculated Property
ΔvapH°	65.96	kJ/mol	Joback Calculated Property
log10WS	-5.15		Crippen Calculated Property
logPoct/wat	3.640		Crippen Calculated Property
McVol	193.310	ml/mol	McGowan Calculated Property
Pc	2110.00	kPa	Joback Calculated Property
Inp	[1946.00; 1946.00]
Inp	1946.00		NIST
Inp	1946.00		NIST
Tboil	717.38	K	Joback Calculated Property
Tc	927.55	K	Joback Calculated Property
Tfus	470.41	K	Joback Calculated Property
Vc	0.755	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[510.88; 573.67]	J/mol×K	[717.38; 927.55]
Cp,gas	510.88	J/mol×K	717.38	Joback Calculated Property
Cp,gas	523.48	J/mol×K	752.41	Joback Calculated Property
Cp,gas	535.22	J/mol×K	787.44	Joback Calculated Property
Cp,gas	546.12	J/mol×K	822.46	Joback Calculated Property
Cp,gas	556.16	J/mol×K	857.49	Joback Calculated Property
Cp,gas	565.34	J/mol×K	892.52	Joback Calculated Property
Cp,gas	573.67	J/mol×K	927.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, 3-methylphenyl ester.

Sources

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

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