ChemSpider 2D Image | (~2~H_3_)Methyl (9E)-9-octadecenoate | C19H33D3O2

(2H3)Methyl (9E)-9-octadecenoate

  • Molecular FormulaC19H33D3O2
  • Average mass299.506 Da
  • Monoisotopic mass299.290375 Da
  • ChemSpider ID58794283

  • 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 (9E)-9-octadecenoate [ACD/IUPAC Name]
(2H3)Methyl-(9E)-9-octadecenoat [German] [ACD/IUPAC Name]
(9E)-9-Octadécénoate de (2H3)méthyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, methyl-d3 ester, (9E)- [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: 351.4±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: 92.4±20.4 °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): 7.84
ACD/BCF (pH 5.5): 536076.25
ACD/KOC (pH 5.5): 439087.84
ACD/LogD (pH 7.4): 7.84
ACD/BCF (pH 7.4): 536076.25
ACD/KOC (pH 7.4): 439087.84
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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