ChemSpider 2D Image | (13Z,16Z)-13,16-Docosadienoate | C22H39O2

(13Z,16Z)-13,16-Docosadienoate

  • Molecular FormulaC22H39O2
  • Average mass335.544 Da
  • Monoisotopic mass335.295563 Da
  • ChemSpider ID31150396

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(13Z,16Z)-13,16-Docosadienoat [German] [ACD/IUPAC Name]
(13Z,16Z)-13,16-Docosadienoate [ACD/IUPAC Name]
(13Z,16Z)-13,16-Docosadiénoate [French] [ACD/IUPAC Name]
13,16-Docosadienoic acid, ion(1-), (13Z,16Z)- [ACD/Index Name]
(13Z,16Z)-docosa-13,16-dienoate
(13Z,16Z)-docosadienoate
  • Miscellaneous

    • Chemical Class:

      A long-chain unsaturated fatty acid anion that is the conjugate base of (13Z,16Z)-docosadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:77806
      A long-chain unsaturated fatty acid anion that is the conjugate base of (13Z,16Z)-docosadienoic acid, obtained by deprotonation of the carboxy group; major species at; pH 7.3. ChEBI CHEBI:77806

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

Density:
Boiling Point: 456.3±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.5±6.0 kJ/mol
Flash Point: 352.9±15.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 9.31
ACD/LogD (pH 5.5): 7.25
ACD/BCF (pH 5.5): 122806.40
ACD/KOC (pH 5.5): 90814.79
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 1970.10
ACD/KOC (pH 7.4): 1456.88
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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