ChemSpider 2D Image | (~2~H_3_)Methyl (9Z,12Z)-9,12-octadecadienoate | C19H31D3O2

(2H3)Methyl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC19H31D3O2
  • Average mass297.491 Da
  • Monoisotopic mass297.274719 Da
  • ChemSpider ID58779921

  • 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 (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(2H3)Methyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (2H3)méthyle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, methyl-d3 ester, (9Z,12Z)- [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: 373.3±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 96.9±20.4 °C
Index of Refraction: 1.465
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 161431.67
ACD/KOC (pH 5.5): 185975.17
ACD/LogD (pH 7.4): 7.16
ACD/BCF (pH 7.4): 161431.67
ACD/KOC (pH 7.4): 185975.17
Polar Surface Area: 26 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 31.3±3.0 dyne/cm
Molar Volume: 332.9±3.0 cm3

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