Chemical Properties of Terephthalic acid, butyl 4-(trifluoromethyl)benzyl ester

InChI

InChI=1S/C20H19F3O4/c1-2-3-12-26-18(24)15-6-8-16(9-7-15)19(25)27-13-14-4-10-17(11-5-14)20(21,22)23/h4-11H,2-3,12-13H2,1H3

InChI Key

DALSFLCIPYNXOG-UHFFFAOYSA-N

Formula

C20H19F3O4

SMILES

CCCCOC(=O)c1ccc(C(=O)OCc2ccc(C(F)(F)F)cc2)cc1

Molecular Weight¹

380.36

• 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°	-726.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1092.69	kJ/mol	Joback Calculated Property
ΔfusH°	42.26	kJ/mol	Joback Calculated Property
ΔvapH°	80.56	kJ/mol	Joback Calculated Property
log10WS	-6.43		Crippen Calculated Property
logPoct/wat	5.019		Crippen Calculated Property
McVol	265.330	ml/mol	McGowan Calculated Property
Pc	1562.28	kPa	Joback Calculated Property
Inp	[2816.00; 2816.00]
Inp	2816.00		NIST
Inp	2816.00		NIST
Tboil	867.48	K	Joback Calculated Property
Tc	1081.23	K	Joback Calculated Property
Tfus	541.55	K	Joback Calculated Property
Vc	1.030	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[803.43; 864.78]	J/mol×K	[867.48; 1081.23]
Cp,gas	803.43	J/mol×K	867.48	Joback Calculated Property
Cp,gas	816.29	J/mol×K	903.10	Joback Calculated Property
Cp,gas	828.02	J/mol×K	938.73	Joback Calculated Property
Cp,gas	838.69	J/mol×K	974.35	Joback Calculated Property
Cp,gas	848.34	J/mol×K	1009.98	Joback Calculated Property
Cp,gas	857.02	J/mol×K	1045.60	Joback Calculated Property
Cp,gas	864.78	J/mol×K	1081.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, butyl 4-(trifluoromethyl)benzyl ester.

Sources

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

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