ChemSpider 2D Image | (5Z,9E,12E)-(5,6,9,10,12,13-~2~H_6_)-5,9,12-Octadecatrienoic acid | C18H24D6O2

(5Z,9E,12E)-(5,6,9,10,12,13-2H6)-5,9,12-Octadecatrienoic acid

  • Molecular FormulaC18H24D6O2
  • Average mass284.467 Da
  • Monoisotopic mass284.262238 Da
  • ChemSpider ID107433720

  • 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

(5Z,9E,12E)-(5,6,9,10,12,13-2H6)-5,9,12-Octadecatrienoic acid [ACD/IUPAC Name]
(5Z,9E,12E)-(5,6,9,10,12,13-2H6)-5,9,12-Octadecatriensäure [German] [ACD/IUPAC Name]
5,9,12-Octadecatrienoic-5,6,9,10,12,13-d6 acid, (5Z,9E,12E)- [ACD/Index Name]
Acide (5Z,9E,12E)-(5,6,9,10,12,13-2H6)-5,9,12-octadécatriénoïque [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: 384.8±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.6±6.0 kJ/mol
Flash Point: 281.7±14.4 °C
Index of Refraction: 1.491
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 4706.34
ACD/KOC (pH 5.5): 8699.85
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 75.21
ACD/KOC (pH 7.4): 139.03
Polar Surface Area: 37 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 301.1±3.0 cm3

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