Chemical Properties of Succinic acid, di(4-trifluoromethylbenzyl) ester

InChI

InChI=1S/C20H16F6O4/c21-19(22,23)15-5-1-13(2-6-15)11-29-17(27)9-10-18(28)30-12-14-3-7-16(8-4-14)20(24,25)26/h1-8H,9-12H2

InChI Key

DURRPWYBGVCZMH-UHFFFAOYSA-N

Formula

C20H16F6O4

SMILES

O=C(CCC(=O)OCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1

Molecular Weight¹

434.33

• 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°	-1307.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-1689.77	kJ/mol	Joback Calculated Property
ΔfusH°	44.09	kJ/mol	Joback Calculated Property
ΔvapH°	76.81	kJ/mol	Joback Calculated Property
log10WS	-6.49		Crippen Calculated Property
logPoct/wat	5.291		Crippen Calculated Property
McVol	270.640	ml/mol	McGowan Calculated Property
Pc	1428.30	kPa	Joback Calculated Property
Inp	[2288.00; 2288.00]
Inp	2288.00		NIST
Inp	2288.00		NIST
Tboil	862.06	K	Joback Calculated Property
Tc	1067.07	K	Joback Calculated Property
Tfus	545.74	K	Joback Calculated Property
Vc	1.073	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[826.70; 883.72]	J/mol×K	[862.06; 1067.07]
Cp,gas	826.70	J/mol×K	862.06	Joback Calculated Property
Cp,gas	838.49	J/mol×K	896.23	Joback Calculated Property
Cp,gas	849.27	J/mol×K	930.40	Joback Calculated Property
Cp,gas	859.12	J/mol×K	964.56	Joback Calculated Property
Cp,gas	868.10	J/mol×K	998.73	Joback Calculated Property
Cp,gas	876.28	J/mol×K	1032.90	Joback Calculated Property
Cp,gas	883.72	J/mol×K	1067.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(4-trifluoromethylbenzyl) ester.

Sources

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

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