ChemSpider 2D Image | (9Z,11E)-13-Hydroperoxy-9,11-octadecadienoate | C18H31O4

(9Z,11E)-13-Hydroperoxy-9,11-octadecadienoate

  • Molecular FormulaC18H31O4
  • Average mass311.437 Da
  • Monoisotopic mass311.222778 Da
  • ChemSpider ID58164100

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(9Z,11E)-13-Hydroperoxy-9,11-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,11E)-13-Hydroperoxy-9,11-octadecadienoate [ACD/IUPAC Name]
(9Z,11E)-13-Hydroperoxy-9,11-octadécadiénoate [French] [ACD/IUPAC Name]
9,11-Octadecadienoic acid, 13-hydroperoxy-, ion(1-), (9Z,11E)- [ACD/Index Name]
(9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoate
13-HPODE(1-)
13-hydroperoxy-(9Z,11E)-octadecadienoate
  • Miscellaneous

    • Chemical Class:

      A hydroperoxy fatty acid anion that is the conjugate base of 13-HPODE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. ChEBI CHEBI:90823

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

Density:
Boiling Point: 449.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 151.0±17.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 2152.29
ACD/KOC (pH 5.5): 5015.57
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 34.50
ACD/KOC (pH 7.4): 80.41
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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