Chemical Properties of Diethylmalonic acid, dodecyl 4-fluoro-2-methoxyphenyl ester

InChI

InChI=1S/C26H41FO5/c1-5-8-9-10-11-12-13-14-15-16-19-31-24(28)26(6-2,7-3)25(29)32-22-18-17-21(27)20-23(22)30-4/h17-18,20H,5-16,19H2,1-4H3

InChI Key

BLLXRVMTUQFLRC-UHFFFAOYSA-N

Formula

C26H41FO5

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(F)cc1OC

Molecular Weight¹

452.61

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[559.70; 1279.34]	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			3.18830e+01
Coefficient B			2.24078e+00
Coefficient C			-1.17572e-03
Coefficient D			1.82400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	559.70	J/mol×K	273.00	Calculated Property
Cp,gas	685.55	J/mol×K	353.78	Calculated Property
Cp,gas	798.57	J/mol×K	434.56	Calculated Property
Cp,gas	899.36	J/mol×K	515.33	Calculated Property
Cp,gas	988.48	J/mol×K	596.11	Calculated Property
Cp,gas	1066.52	J/mol×K	676.89	Calculated Property
Cp,gas	1134.05	J/mol×K	757.67	Calculated Property
Cp,gas	1191.64	J/mol×K	838.44	Calculated Property
Cp,gas	1239.88	J/mol×K	919.22	Calculated Property
Cp,gas	1279.34	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dodecyl 4-fluoro-2-methoxyphenyl 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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