ChemSpider 2D Image | (~2~H_3_)Methyl (9E,11E,13E,15E)-9,11,13,15-octadecatetraenoate | C19H27D3O2

(2H3)Methyl (9E,11E,13E,15E)-9,11,13,15-octadecatetraenoate

  • Molecular FormulaC19H27D3O2
  • Average mass293.459 Da
  • Monoisotopic mass293.243408 Da
  • ChemSpider ID58780352

  • 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,11E,13E,15E)-9,11,13,15-octadecatetraenoate [ACD/IUPAC Name]
(2H3)Methyl-(9E,11E,13E,15E)-9,11,13,15-octadecatetraenoat [German] [ACD/IUPAC Name]
(9E,11E,13E,15E)-9,11,13,15-Octadécatétraénoate de (2H3)méthyle [French] [ACD/IUPAC Name]
9,11,13,15-Octadecatetraenoic acid, methyl-d3 ester, (9E,11E,13E,15E)- [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: 395.1±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 116.5±20.4 °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: 6.61
ACD/LogD (pH 5.5): 6.17
ACD/BCF (pH 5.5): 28906.22
ACD/KOC (pH 5.5): 54295.29
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 28906.22
ACD/KOC (pH 7.4): 54295.29
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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