ChemSpider 2D Image | (~2~H_3_)Methyl (11E)-11-octadecenoate | C19H33D3O2

(2H3)Methyl (11E)-11-octadecenoate

  • Molecular FormulaC19H33D3O2
  • Average mass299.506 Da
  • Monoisotopic mass299.290375 Da
  • ChemSpider ID58794335

  • 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

(2H3)Methyl (11E)-11-octadecenoate [ACD/IUPAC Name]
(2H3)Methyl-(11E)-11-octadecenoat [German] [ACD/IUPAC Name]
(11E)-11-Octadécénoate de (2H3)méthyle [French] [ACD/IUPAC Name]
11-Octadecenoic acid, methyl-d3 ester, (11E)- [ACD/Index 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: 351.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.6±3.0 kJ/mol
Flash Point: 62.2±0.0 °C
Index of Refraction: 1.454
Molar Refractivity: 91.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 8.16
ACD/LogD (pH 5.5): 7.37
ACD/BCF (pH 5.5): 233933.27
ACD/KOC (pH 5.5): 242533.28
ACD/LogD (pH 7.4): 7.37
ACD/BCF (pH 7.4): 233933.27
ACD/KOC (pH 7.4): 242533.28
Polar Surface Area: 26 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 30.9±3.0 dyne/cm
Molar Volume: 339.3±3.0 cm3

Click to predict properties on the Chemicalize site


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