Chemical Properties of Terephthalic acid, di(2,3,5-trifluorobenzyl) ester

InChI

InChI=1S/C22H12F6O4/c23-15-5-13(19(27)17(25)7-15)9-31-21(29)11-1-2-12(4-3-11)22(30)32-10-14-6-16(24)8-18(26)20(14)28/h1-8H,9-10H2

InChI Key

SWJQTBWQXLACFC-UHFFFAOYSA-N

Formula

C22H12F6O4

SMILES

O=C(OCc1cc(F)cc(F)c1F)c1ccc(C(=O)OCc2cc(F)cc(F)c2F)cc1

Molecular Weight¹

454.32

• 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°	-1232.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1534.37	kJ/mol	Joback Calculated Property
ΔfusH°	56.19	kJ/mol	Joback Calculated Property
ΔvapH°	89.44	kJ/mol	Joback Calculated Property
log10WS	-8.17		Crippen Calculated Property
logPoct/wat	5.235		Crippen Calculated Property
McVol	275.060	ml/mol	McGowan Calculated Property
Pc	1456.79	kPa	Joback Calculated Property
Inp	[2512.00; 2512.00]
Inp	2512.00		NIST
Inp	2512.00		NIST
Tboil	965.86	K	Joback Calculated Property
Tc	1187.70	K	Joback Calculated Property
Tfus	652.46	K	Joback Calculated Property
Vc	1.099	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[826.46; 862.75]	J/mol×K	[965.86; 1187.70]
Cp,gas	826.46	J/mol×K	965.86	Joback Calculated Property
Cp,gas	835.59	J/mol×K	1002.83	Joback Calculated Property
Cp,gas	843.46	J/mol×K	1039.81	Joback Calculated Property
Cp,gas	850.10	J/mol×K	1076.78	Joback Calculated Property
Cp,gas	855.51	J/mol×K	1113.75	Joback Calculated Property
Cp,gas	859.73	J/mol×K	1150.73	Joback Calculated Property
Cp,gas	862.75	J/mol×K	1187.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, di(2,3,5-trifluorobenzyl) ester.

Sources

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

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