ChemSpider 2D Image | (8E,10S,12Z)-10-Hydroperoxy-8,12-octadecadienoate | C18H31O4

(8E,10S,12Z)-10-Hydroperoxy-8,12-octadecadienoate

  • Molecular FormulaC18H31O4
  • Average mass311.437 Da
  • Monoisotopic mass311.222778 Da
  • ChemSpider ID30785630

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8E,10S,12Z)-10-Hydroperoxy-8,12-octadecadienoat [German] [ACD/IUPAC Name]
(8E,10S,12Z)-10-Hydroperoxy-8,12-octadecadienoate [ACD/IUPAC Name]
(8E,10S,12Z)-10-Hydroperoxy-8,12-octadécadiénoate [French] [ACD/IUPAC Name]
8,12-Octadecadienoic acid, 10-hydroperoxy-, ion(1-), (8E,10S,12Z)- [ACD/Index Name]
(8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoate
  • Miscellaneous

    • Chemical Class:

      An unsaturated fatty acid anion that is the conjugate base of (8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid, obtained by deprotonation of the carboxy group. ChEBI CHEBI:75346
      An unsaturated fatty acid anion that is the conjugate base of (8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid, obtained by deprotonation of the; carboxy group. ChEBI CHEBI:75346

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

Density:
Boiling Point: 477.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.5±6.0 kJ/mol
Flash Point: 163.0±22.2 °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: 6.21
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 1860.60
ACD/KOC (pH 5.5): 4507.89
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 29.80
ACD/KOC (pH 7.4): 72.20
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

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