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

InChI

InChI=1S/C27H43FO5/c1-5-8-9-10-11-12-13-14-15-16-17-20-32-25(29)27(6-2,7-3)26(30)33-23-19-18-22(28)21-24(23)31-4/h18-19,21H,5-17,20H2,1-4H3

InChI Key

QEHHAQKQZXZJTC-UHFFFAOYSA-N

Formula

C27H43FO5

SMILES

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

Molecular Weight¹

466.63

• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1325.77; 1401.03]	J/mol×K	[988.90; 1212.70]
Cp,gas	1325.77	J/mol×K	988.90	Joback Calculated Property
Cp,gas	1342.50	J/mol×K	1026.20	Joback Calculated Property
Cp,gas	1357.49	J/mol×K	1063.50	Joback Calculated Property
Cp,gas	1370.77	J/mol×K	1100.80	Joback Calculated Property
Cp,gas	1382.41	J/mol×K	1138.10	Joback Calculated Property
Cp,gas	1392.48	J/mol×K	1175.40	Joback Calculated Property
Cp,gas	1401.03	J/mol×K	1212.70	Joback Calculated Property

Similar Compounds

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