Chemical Properties of Succinic acid, di(2-fluoro-6-(trifluoromethyl)benzyl) ester

InChI

InChI=1S/C20H14F8O4/c21-15-5-1-3-13(19(23,24)25)11(15)9-31-17(29)7-8-18(30)32-10-12-14(20(26,27)28)4-2-6-16(12)22/h1-6H,7-10H2

InChI Key

QVKACRHMYNCIPA-UHFFFAOYSA-N

Formula

C20H14F8O4

SMILES

O=C(CCC(=O)OCc1c(F)cccc1C(F)(F)F)OCc1c(F)cccc1C(F)(F)F

Molecular Weight¹

470.31

• 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°	-1716.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-2104.93	kJ/mol	Joback Calculated Property
ΔfusH°	49.47	kJ/mol	Joback Calculated Property
ΔvapH°	76.50	kJ/mol	Joback Calculated Property
log10WS	-7.15		Crippen Calculated Property
logPoct/wat	5.569		Crippen Calculated Property
McVol	274.180	ml/mol	McGowan Calculated Property
Pc	1307.06	kPa	Joback Calculated Property
Inp	[2280.00; 2280.00]
Inp	2280.00		NIST
Inp	2280.00		NIST
Tboil	870.56	K	Joback Calculated Property
Tc	1070.54	K	Joback Calculated Property
Tfus	571.96	K	Joback Calculated Property
Vc	1.109	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[838.75; 891.80]	J/mol×K	[870.56; 1070.54]
Cp,gas	838.75	J/mol×K	870.56	Joback Calculated Property
Cp,gas	849.78	J/mol×K	903.89	Joback Calculated Property
Cp,gas	859.86	J/mol×K	937.22	Joback Calculated Property
Cp,gas	869.05	J/mol×K	970.55	Joback Calculated Property
Cp,gas	877.41	J/mol×K	1003.88	Joback Calculated Property
Cp,gas	884.97	J/mol×K	1037.21	Joback Calculated Property
Cp,gas	891.80	J/mol×K	1070.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(2-fluoro-6-(trifluoromethyl)benzyl) ester.

Sources

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

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