Chemical Properties of Terephthalic acid, isobutyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C20H19F3O5/c1-13(2)11-26-18(24)15-5-7-16(8-6-15)19(25)27-12-14-3-9-17(10-4-14)28-20(21,22)23/h3-10,13H,11-12H2,1-2H3

InChI Key

ONXYLCFRXWJPFJ-UHFFFAOYSA-N

Formula

C20H19F3O5

SMILES

CC(C)COC(=O)c1ccc(C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1

Molecular Weight¹

396.36

• 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°	-833.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-1230.19	kJ/mol	Joback Calculated Property
ΔfusH°	39.92	kJ/mol	Joback Calculated Property
ΔvapH°	82.58	kJ/mol	Joback Calculated Property
log10WS	-6.36		Crippen Calculated Property
logPoct/wat	4.755		Crippen Calculated Property
McVol	271.200	ml/mol	McGowan Calculated Property
Pc	1551.22	kPa	Joback Calculated Property
Inp	[2467.00; 2467.00]
Inp	2467.00		NIST
Inp	2467.00		NIST
Tboil	889.46	K	Joback Calculated Property
Tc	1105.60	K	Joback Calculated Property
Tfus	548.78	K	Joback Calculated Property
Vc	1.042	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[830.74; 887.11]	J/mol×K	[889.46; 1105.60]
Cp,gas	830.74	J/mol×K	889.46	Joback Calculated Property
Cp,gas	843.09	J/mol×K	925.48	Joback Calculated Property
Cp,gas	854.21	J/mol×K	961.51	Joback Calculated Property
Cp,gas	864.13	J/mol×K	997.53	Joback Calculated Property
Cp,gas	872.90	J/mol×K	1033.55	Joback Calculated Property
Cp,gas	880.55	J/mol×K	1069.57	Joback Calculated Property
Cp,gas	887.11	J/mol×K	1105.60	Joback Calculated Property

Similar Compounds

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

Sources

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

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