ChemSpider 2D Image | 22-Oxodocosanoate | C22H41O3

22-Oxodocosanoate

  • Molecular FormulaC22H41O3
  • Average mass353.560 Da
  • Monoisotopic mass353.306122 Da
  • ChemSpider ID30785834

  • Charge - Charge

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

22-Oxodocosanoat [German] [ACD/IUPAC Name]
22-Oxodocosanoate [ACD/IUPAC Name]
22-Oxodocosanoate [French] [ACD/IUPAC Name]
Docosanoic acid, 22-oxo-, ion(1-) [ACD/Index Name]
22-ketobehenate
22-ketodocosanoate
22-oxobehenate
22-oxo-behenate
22-oxo-C22:0(1-)
22-oxo-docosanoate
More...
  • Miscellaneous

    • Chemical Class:

      An oxo fatty acid anion that is the conjugate base of 22-ketodocosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:76298

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 487.1±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.5±6.0 kJ/mol
Flash Point: 262.5±17.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 8.37
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 51119.96
ACD/KOC (pH 5.5): 48497.36
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 820.09
ACD/KOC (pH 7.4): 778.02
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement