ChemSpider 2D Image | (9Z)-12,13-Dihydroxy(9,10,12,13-~2~H_4_)-9-octadecenoic acid | C18H30D4O4

(9Z)-12,13-Dihydroxy(9,10,12,13-2H4)-9-octadecenoic acid

  • Molecular FormulaC18H30D4O4
  • Average mass318.485 Da
  • Monoisotopic mass318.270813 Da
  • ChemSpider ID21467744

  • 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)-12,13-Dihydroxy(9,10,12,13-2H4)-9-octadecenoic acid [ACD/IUPAC Name]
(9Z)-12,13-Dihydroxy(9,10,12,13-2H4)-9-octadecensäure [German] [ACD/IUPAC Name]
9-Octadecenoic-9,10,12,13-d4 acid, 12,13-dihydroxy-, (9Z)- [ACD/Index Name]
Acide (9Z)-12,13-dihydroxy(9,10,12,13-2H4)-9-octadécénoïque [French] [ACD/IUPAC Name]
(±)12,13-DiHOME-d4
12,13 diHOME-(d4)
12,13-dihydroxy-9Z-octadecenoic acid-(d4)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 476.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.3±6.0 kJ/mol
Flash Point: 255.8±21.1 °C
Index of Refraction: 1.493
Molar Refractivity: 90.1±0.3 cm3
#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): 3.38
ACD/BCF (pH 5.5): 140.33
ACD/KOC (pH 5.5): 710.73
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 11.40
Polar Surface Area: 78 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 309.7±3.0 cm3

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