ChemSpider 2D Image | (~2~H_3_)Methyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate | C19H27D3O2

(2H3)Methyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate

  • Molecular FormulaC19H27D3O2
  • Average mass293.459 Da
  • Monoisotopic mass293.243408 Da
  • ChemSpider ID58779940
  • 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 (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
(2H3)Methyl-(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z)-6,9,12,15-Octadécatétraénoate de (2H3)méthyle [French] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, methyl-d3 ester, (6Z,9Z,12Z,15Z)- [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: 374.5±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 103.8±23.2 °C
Index of Refraction: 1.487
Molar Refractivity: 92.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18649.41
ACD/KOC (pH 5.5): 39676.09
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18649.41
ACD/KOC (pH 7.4): 39676.09
Polar Surface Area: 26 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 320.1±3.0 cm3

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