Chemical Properties of 2-Trifluorobenzoic acid, 2-isopropoxyphenyl ester

InChI

InChI=1S/C17H15F3O3/c1-11(2)22-14-9-5-6-10-15(14)23-16(21)12-7-3-4-8-13(12)17(18,19)20/h3-11H,1-2H3

InChI Key

RKUHEWWYEWWTCT-UHFFFAOYSA-N

Formula

C17H15F3O3

SMILES

CC(C)Oc1ccccc1OC(=O)c1ccccc1C(F)(F)F

Molecular Weight¹

324.29

• 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°	-625.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-923.47	kJ/mol	Joback Calculated Property
ΔfusH°	29.37	kJ/mol	Joback Calculated Property
ΔvapH°	66.74	kJ/mol	Joback Calculated Property
log10WS	-5.73		Crippen Calculated Property
logPoct/wat	4.712		Crippen Calculated Property
McVol	221.490	ml/mol	McGowan Calculated Property
Pc	1895.30	kPa	Joback Calculated Property
Inp	[1944.00; 1944.00]
Inp	1944.00		NIST
Inp	1944.00		NIST
Tboil	744.53	K	Joback Calculated Property
Tc	960.20	K	Joback Calculated Property
Tfus	442.81	K	Joback Calculated Property
Vc	0.851	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[623.58; 693.41]	J/mol×K	[744.53; 960.20]
Cp,gas	623.58	J/mol×K	744.53	Joback Calculated Property
Cp,gas	637.87	J/mol×K	780.47	Joback Calculated Property
Cp,gas	651.04	J/mol×K	816.42	Joback Calculated Property
Cp,gas	663.13	J/mol×K	852.36	Joback Calculated Property
Cp,gas	674.19	J/mol×K	888.31	Joback Calculated Property
Cp,gas	684.27	J/mol×K	924.25	Joback Calculated Property
Cp,gas	693.41	J/mol×K	960.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Trifluorobenzoic acid, 2-isopropoxyphenyl ester.

Sources

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

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