Chemical Properties of Succinic acid, di(1-phenyl-2,2,2-trifluoroethyl) ester

InChI

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

InChI Key

KWZQDZZHVIDKIU-UHFFFAOYSA-N

Formula

C20H16F6O4

SMILES

O=C(CCC(=O)OC(c1ccccc1)C(F)(F)F)OC(c1ccccc1)C(F)(F)F

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°	-1293.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-1677.39	kJ/mol	Joback Calculated Property
ΔfusH°	37.82	kJ/mol	Joback Calculated Property
ΔvapH°	74.71	kJ/mol	Joback Calculated Property
log10WS	-6.37		Crippen Calculated Property
logPoct/wat	5.460		Crippen Calculated Property
McVol	270.640	ml/mol	McGowan Calculated Property
Pc	1479.29	kPa	Joback Calculated Property
Inp	[2052.00; 2052.00]
Inp	2052.00		NIST
Inp	2052.00		NIST
Tboil	851.22	K	Joback Calculated Property
Tc	1058.30	K	Joback Calculated Property
Tfus	490.70	K	Joback Calculated Property
Vc	1.062	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[830.43; 888.85]	J/mol×K	[851.22; 1058.30]
Cp,gas	830.43	J/mol×K	851.22	Joback Calculated Property
Cp,gas	842.57	J/mol×K	885.73	Joback Calculated Property
Cp,gas	853.64	J/mol×K	920.25	Joback Calculated Property
Cp,gas	863.72	J/mol×K	954.76	Joback Calculated Property
Cp,gas	872.89	J/mol×K	989.27	Joback Calculated Property
Cp,gas	881.24	J/mol×K	1023.78	Joback Calculated Property
Cp,gas	888.85	J/mol×K	1058.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(1-phenyl-2,2,2-trifluoroethyl) ester.

Sources

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

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