Chemical Properties of 2,6-Pyridinedicarboxylic acid, 4-chlorobenzyl nonyl ester

InChI

InChI=1S/C23H28ClNO4/c1-2-3-4-5-6-7-8-16-28-22(26)20-10-9-11-21(25-20)23(27)29-17-18-12-14-19(24)15-13-18/h9-15H,2-8,16-17H2,1H3

InChI Key

FCJQLWGLHFJGDT-UHFFFAOYSA-N

Formula

C23H28ClNO4

SMILES

CCCCCCCCCOC(=O)c1cccc(C(=O)OCc2ccc(Cl)cc2)n1

Molecular Weight¹

417.93

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Similar Compounds

Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 4-chlorobenzyl nonyl 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
• McGowan Method
• NIST Webbook

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