Chemical Properties of «gamma»-Linolenic acid, picolinyl ester (CAS 103418-44-6)

InChI

InChI=1S/C24H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h6-7,9-10,12-13,17-18,20-21H,2-5,8,11,14-16,19,22H2,1H3/b7-6-,10-9-,13-12-

InChI Key

GQFLNXHHBUQWAP-QNEBEIHSSA-N

Formula

C24H35NO2

SMILES

CCCCCC=CCC=CCC=CCCCCC(=O)OCc1cccnc1

Molecular Weight¹

369.54

CAS

103418-44-6

Other Names

• (Z,Z,Z)-6,9,12-Octadecatrienoic acid, picolinyl ester

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Pressure, Critical Volume, Enthalpy of formation 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 «gamma»-Linolenic acid, picolinyl 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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