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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.47	kJ/mol	Joback Calculated Property
ΔvapH°	104.86	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.569		Crippen Calculated Property
McVol	274.180	ml/mol	McGowan Calculated Property
Inp	[2280.00; 2280.00]
Inp	2280.00		NIST
Inp	2280.00		NIST
Tboil	642.13	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.