Chemical Properties of Pyrrolidine, 1-(1-oxo-2,5-octadecadienyl)- (CAS 56666-48-9)

InChI

InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h13-14,16,19H,2-12,15,17-18,20-21H2,1H3/b14-13+,19-16+

InChI Key

QNBNFYKISNNUMZ-MHTUQYMHSA-N

Formula

C22H39NO

SMILES

CCCCCCCCCCCCC=CCC=CC(=O)N1CCCC1

Molecular Weight¹

333.55

CAS

56666-48-9

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, 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.

Similar Compounds

Find more compounds similar to Pyrrolidine, 1-(1-oxo-2,5-octadecadienyl)-.

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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