Chemical Properties of Sebacic acid, di(2,3,6-trifluorobenzyl) ester

InChI

InChI=1S/C24H24F6O4/c25-17-9-11-19(27)23(29)15(17)13-33-21(31)7-5-3-1-2-4-6-8-22(32)34-14-16-18(26)10-12-20(28)24(16)30/h9-12H,1-8,13-14H2

InChI Key

OLTAGCTTXIXYCZ-UHFFFAOYSA-N

Formula

C24H24F6O4

SMILES

O=C(CCCCCCCCC(=O)OCc1c(F)ccc(F)c1F)OCc1c(F)ccc(F)c1F

Molecular Weight¹

490.44

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[497.27; 1060.86]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.64200e+01
Coefficient B			1.73020e+00
Coefficient C			-8.51160e-04
Coefficient D			9.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	497.27	J/mol×K	273.00	Calculated Property
Cp,gas	596.22	J/mol×K	353.78	Calculated Property
Cp,gas	685.38	J/mol×K	434.56	Calculated Property
Cp,gas	765.06	J/mol×K	515.33	Calculated Property
Cp,gas	835.56	J/mol×K	596.11	Calculated Property
Cp,gas	897.18	J/mol×K	676.89	Calculated Property
Cp,gas	950.21	J/mol×K	757.67	Calculated Property
Cp,gas	994.97	J/mol×K	838.44	Calculated Property
Cp,gas	1031.75	J/mol×K	919.22	Calculated Property
Cp,gas	1060.86	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(2,3,6-trifluorobenzyl) 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.
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