ChemSpider 2D Image | (9E,12E)-(9,10,12,13-~2~H_4_)-9,12-Octadecadienoic acid | C18H28D4O2

(9E,12E)-(9,10,12,13-2H4)-9,12-Octadecadienoic acid

  • Molecular FormulaC18H28D4O2
  • Average mass284.470 Da
  • Monoisotopic mass284.265350 Da
  • ChemSpider ID111133602

  • 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

(9E,12E)-(9,10,12,13-2H4)-9,12-Octadecadienoic acid [ACD/IUPAC Name]
(9E,12E)-(9,10,12,13-2H4)-9,12-Octadecadiensäure [German] [ACD/IUPAC Name]
9,12-Octadecadienoic-9,10,12,13-d4 acid, (9E,12E)- [ACD/Index Name]
Acide (9E,12E)-(9,10,12,13-2H4)-9,12-octadécadiénoïque [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 360.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.6±6.0 kJ/mol
Flash Point: 273.0±14.4 °C
Index of Refraction: 1.478
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 12410.54
ACD/KOC (pH 5.5): 17584.15
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 199.01
ACD/KOC (pH 7.4): 281.97
Polar Surface Area: 37 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 307.5±3.0 cm3

Click to predict properties on the Chemicalize site


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