ChemSpider 2D Image | (9Z,11E)-13-Oxo(6,7,9,10-~2~H_4_)-9,11-octadecadienoic acid | C18H26D4O3

(9Z,11E)-13-Oxo(6,7,9,10-2H4)-9,11-octadecadienoic acid

  • Molecular FormulaC18H26D4O3
  • Average mass298.454 Da
  • Monoisotopic mass298.244598 Da
  • ChemSpider ID29341678

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(9Z,11E)-13-Oxo(6,7,9,10-2H4)-9,11-octadecadienoic acid [ACD/IUPAC Name]
(9Z,11E)-13-Oxo(6,7,9,10-2H4)-9,11-octadecadiensäure [German] [ACD/IUPAC Name]
9,11-Octadecadienoic-6,7,9,10-d4 acid, 13-oxo-, (9Z,11E)- [ACD/Index Name]
Acide (9Z,11E)-13-oxo(6,7,9,10-2H4)-9,11-octadécadiénoïque [French] [ACD/IUPAC Name]
13-oxo-9Z,11E-9,10,12,-d3-octadecadienoic acid
13-OxoODE-d3

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

Density: 1.0±0.1 g/cm3
Boiling Point: 425.5±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±6.0 kJ/mol
Flash Point: 225.3±17.7 °C
Index of Refraction: 1.484
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1092.12
ACD/KOC (pH 5.5): 3085.65
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 17.51
ACD/KOC (pH 7.4): 49.47
Polar Surface Area: 54 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 304.6±3.0 cm3

Click to predict properties on the Chemicalize site


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