ChemSpider 2D Image | (13Z)-13-Octadecenoate | C18H33O2


  • Molecular FormulaC18H33O2
  • Average mass281.454 Da
  • Monoisotopic mass281.248596 Da
  • ChemSpider ID34448556
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(13Z)-13-Octadecenoat [German] [ACD/IUPAC Name]
(13Z)-13-Octadecenoate [ACD/IUPAC Name]
(13Z)-13-Octadécénoate [French] [ACD/IUPAC Name]
13-Octadecenoic acid, ion(1-), (13Z)- [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      An octadecenoate that is the conjugate base of (13Z)-octadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:82618

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 398.2±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.2±6.0 kJ/mol
Flash Point: 295.0±14.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 9182.36
ACD/KOC (pH 5.5): 14190.20
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 147.31
ACD/KOC (pH 7.4): 227.64
Polar Surface Area: 40 Å2
Surface Tension:
Molar Volume:

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