ChemSpider 2D Image | (12Z)-9,10-Dihydroxy-12-octadecenoate | C18H33O4

(12Z)-9,10-Dihydroxy-12-octadecenoate

  • Molecular FormulaC18H33O4
  • Average mass313.453 Da
  • Monoisotopic mass313.238434 Da
  • ChemSpider ID34448933

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(12Z)-9,10-Dihydroxy-12-octadecenoat [German] [ACD/IUPAC Name]
(12Z)-9,10-Dihydroxy-12-octadecenoate [ACD/IUPAC Name]
(12Z)-9,10-Dihydroxy-12-octadécénoate [French] [ACD/IUPAC Name]
12-Octadecenoic acid, 9,10-dihydroxy-, ion(1-), (12Z)- [ACD/Index Name]
(12Z)-9,10-dihydroxyoctadec-12-enoate
(12Z)-9,10-dihydroxyoctadecenoate
9,10-DiHOME(1-)
9,10-dihydroxy-(12Z)-octadecenoate
  • Miscellaneous

    • Chemical Class:

      A monounsaturated fatty acid anion that is the conjugate base of 9,10-DiHOME, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:84027

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

Density:
Boiling Point: 491.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.4±6.0 kJ/mol
Flash Point: 265.3±22.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 70.21
ACD/KOC (pH 5.5): 432.86
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.13
ACD/KOC (pH 7.4): 6.94
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement