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

InChI

InChI=1S/C20H29FO5/c1-5-8-9-10-13-25-18(22)20(6-2,7-3)19(23)26-16-12-11-15(21)14-17(16)24-4/h11-12,14H,5-10,13H2,1-4H3

InChI Key

ZGGLXTPQIQFBIG-UHFFFAOYSA-N

Formula

C20H29FO5

SMILES

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

Molecular Weight¹

368.44

• 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.
• 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	[432.42; 969.80]	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			3.73370e+01
Coefficient B			1.67078e+00
Coefficient C			-8.49320e-04
Coefficient D			1.11000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	432.42	J/mol×K	273.00	Calculated Property
Cp,gas	527.04	J/mol×K	353.78	Calculated Property
Cp,gas	612.11	J/mol×K	434.56	Calculated Property
Cp,gas	687.98	J/mol×K	515.33	Calculated Property
Cp,gas	755.02	J/mol×K	596.11	Calculated Property
Cp,gas	813.55	J/mol×K	676.89	Calculated Property
Cp,gas	863.95	J/mol×K	757.67	Calculated Property
Cp,gas	906.56	J/mol×K	838.44	Calculated Property
Cp,gas	941.72	J/mol×K	919.22	Calculated Property
Cp,gas	969.80	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-fluoro-2-methoxyphenyl hexyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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