Chemical Properties of Terephthalic acid, di(4-trifluoromethoxybenzyl) ester

InChI

InChI=1S/C24H16F6O6/c25-23(26,27)35-19-9-1-15(2-10-19)13-33-21(31)17-5-7-18(8-6-17)22(32)34-14-16-3-11-20(12-4-16)36-24(28,29)30/h1-12H,13-14H2

InChI Key

DWLQRKMEBGXRFF-UHFFFAOYSA-N

Formula

C24H16F6O6

SMILES

O=C(OCc1ccc(OC(F)(F)F)cc1)c1ccc(C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1

Molecular Weight¹

514.37

• 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°	-1381.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1811.71	kJ/mol	Joback Calculated Property
ΔfusH°	50.47	kJ/mol	Joback Calculated Property
ΔvapH°	93.47	kJ/mol	Joback Calculated Property
log10WS	-8.73		Crippen Calculated Property
logPoct/wat	6.198		Crippen Calculated Property
McVol	314.980	ml/mol	McGowan Calculated Property
Pc	1324.24	kPa	Joback Calculated Property
Inp	[2101.00; 2101.00]
Inp	2101.00		NIST
Inp	2101.00		NIST
Tboil	1030.08	K	Joback Calculated Property
Tc	1263.26	K	Joback Calculated Property
Tfus	674.22	K	Joback Calculated Property
Vc	1.226	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[997.64; 1029.30]	J/mol×K	[1030.08; 1263.26]
Cp,gas	997.64	J/mol×K	1030.08	Joback Calculated Property
Cp,gas	1005.99	J/mol×K	1068.94	Joback Calculated Property
Cp,gas	1013.02	J/mol×K	1107.81	Joback Calculated Property
Cp,gas	1018.78	J/mol×K	1146.67	Joback Calculated Property
Cp,gas	1023.37	J/mol×K	1185.53	Joback Calculated Property
Cp,gas	1026.85	J/mol×K	1224.40	Joback Calculated Property
Cp,gas	1029.30	J/mol×K	1263.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, di(4-trifluoromethoxybenzyl) ester.

Sources

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

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