Chemical Properties of Terephthalic acid, hexyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C22H23F3O5/c1-2-3-4-5-14-28-20(26)17-8-10-18(11-9-17)21(27)29-15-16-6-12-19(13-7-16)30-22(23,24)25/h6-13H,2-5,14-15H2,1H3

InChI Key

VLADEONDOOIOMA-UHFFFAOYSA-N

Formula

C22H23F3O5

SMILES

CCCCCCOC(=O)c1ccc(C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1

Molecular Weight¹

424.41

• 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°	-814.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1266.19	kJ/mol	Joback Calculated Property
ΔfusH°	48.63	kJ/mol	Joback Calculated Property
ΔvapH°	87.42	kJ/mol	Joback Calculated Property
log10WS	-7.44		Crippen Calculated Property
logPoct/wat	5.679		Crippen Calculated Property
McVol	299.380	ml/mol	McGowan Calculated Property
Pc	1332.96	kPa	Joback Calculated Property
Inp	[2780.00; 2780.00]
Inp	2780.00		NIST
Inp	2780.00		NIST
Tboil	935.66	K	Joback Calculated Property
Tc	1151.61	K	Joback Calculated Property
Tfus	586.32	K	Joback Calculated Property
Vc	1.161	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[945.91; 1002.90]	J/mol×K	[935.66; 1151.61]
Cp,gas	945.91	J/mol×K	935.66	Joback Calculated Property
Cp,gas	958.44	J/mol×K	971.65	Joback Calculated Property
Cp,gas	969.70	J/mol×K	1007.64	Joback Calculated Property
Cp,gas	979.73	J/mol×K	1043.64	Joback Calculated Property
Cp,gas	988.58	J/mol×K	1079.63	Joback Calculated Property
Cp,gas	996.29	J/mol×K	1115.62	Joback Calculated Property
Cp,gas	1002.90	J/mol×K	1151.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, hexyl 4-trifluoromethoxybenzyl ester.

Sources

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

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