Chemical Properties of Terephthalic acid, di(3-fluorobenzyl) ester

InChI

InChI=1S/C22H16F2O4/c23-19-5-1-3-15(11-19)13-27-21(25)17-7-9-18(10-8-17)22(26)28-14-16-4-2-6-20(24)12-16/h1-12H,13-14H2

InChI Key

WJVPOLMFKPYWAA-UHFFFAOYSA-N

Formula

C22H16F2O4

SMILES

O=C(OCc1cccc(F)c1)c1ccc(C(=O)OCc2cccc(F)c2)cc1

Molecular Weight¹

382.36

• 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°	-414.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-704.05	kJ/mol	Joback Calculated Property
ΔfusH°	45.43	kJ/mol	Joback Calculated Property
ΔvapH°	90.06	kJ/mol	Joback Calculated Property
log10WS	-6.84		Crippen Calculated Property
logPoct/wat	4.679		Crippen Calculated Property
McVol	267.980	ml/mol	McGowan Calculated Property
Pc	1765.41	kPa	Joback Calculated Property
Inp	[2823.00; 2823.00]
Inp	2823.00		NIST
Inp	2823.00		NIST
Tboil	948.86	K	Joback Calculated Property
Tc	1185.72	K	Joback Calculated Property
Tfus	600.02	K	Joback Calculated Property
Vc	1.028	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[804.89; 851.20]	J/mol×K	[948.86; 1185.72]
Cp,gas	804.89	J/mol×K	948.86	Joback Calculated Property
Cp,gas	815.84	J/mol×K	988.34	Joback Calculated Property
Cp,gas	825.43	J/mol×K	1027.81	Joback Calculated Property
Cp,gas	833.71	J/mol×K	1067.29	Joback Calculated Property
Cp,gas	840.73	J/mol×K	1106.76	Joback Calculated Property
Cp,gas	846.55	J/mol×K	1146.24	Joback Calculated Property
Cp,gas	851.20	J/mol×K	1185.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, di(3-fluorobenzyl) ester.

Sources

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

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