ChemSpider 2D Image | Methyl (6Z,9Z,12Z)-(18,18,18-~2~H_3_)-6,9,12-octadecatrienoate | C19H29D3O2

Methyl (6Z,9Z,12Z)-(18,18,18-2H3)-6,9,12-octadecatrienoate

  • Molecular FormulaC19H29D3O2
  • Average mass295.475 Da
  • Monoisotopic mass295.259064 Da
  • ChemSpider ID8836926

  • 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

(6Z,9Z,12Z)-(18,18,18-2H3)-6,9,12-Octadécatriénoate de méthyle [French] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic-18,18,18-d3 acid, methyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
Methyl (6Z,9Z,12Z)-(18,18,18-2H3)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
Methyl-(6Z,9Z,12Z)-(18,18,18-2H3)-6,9,12-octadecatrienoat [German] [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: 385.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 101.5±23.2 °C
Index of Refraction: 1.476
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 73926.26
ACD/KOC (pH 5.5): 106332.65
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 73926.26
ACD/KOC (pH 7.4): 106332.65
Polar Surface Area: 26 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 326.5±3.0 cm3

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