Chemical Properties of 2,6-Pyridinedicarboxylic acid, 4-bromo-2-methoxybenzyl pentyl ester

InChI

InChI=1S/C20H22BrNO5/c1-3-4-5-11-26-19(23)16-7-6-8-17(22-16)20(24)27-13-14-9-10-15(21)12-18(14)25-2/h6-10,12H,3-5,11,13H2,1-2H3

InChI Key

AVHANJNSCZQHOQ-UHFFFAOYSA-N

Formula

C20H22BrNO5

SMILES

CCCCCOC(=O)c1cccc(C(=O)OCc2ccc(Br)cc2OC)n1

Molecular Weight¹

436.30

• 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.
• 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 Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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-bromo-2-methoxybenzyl pentyl 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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