Chemical Properties of Isonicoinic acid, 5-tridecyl ester

InChI

InChI=1S/C19H31NO2/c1-3-5-7-8-9-10-12-18(11-6-4-2)22-19(21)17-13-15-20-16-14-17/h13-16,18H,3-12H2,1-2H3

InChI Key

DVXIBZJEHOPKSW-UHFFFAOYSA-N

Formula

C19H31NO2

SMILES

CCCCCCCCC(CCCC)OC(=O)c1ccncc1

Molecular Weight¹

305.46

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• 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 Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 Isonicoinic acid, 5-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
• McGowan Method
• NIST Webbook

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