ChemSpider 2D Image | 1,3-Bis(octanoyloxy)-2-propanyl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate | C39H66O6

1,3-Bis(octanoyloxy)-2-propanyl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC39H66O6
  • Average mass630.938 Da
  • Monoisotopic mass630.485962 Da
  • ChemSpider ID9540576

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5E,8E,11E,14E)-5,8,11,14-Icosatétraénoate de 1,3-bis(octanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis(octanoyloxy)-2-propanyl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
1,3-Bis(octanoyloxy)-2-propanyl-(5E,8E,11E,14E)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, 2-[(1-oxooctyl)oxy]-1-[[(1-oxooctyl)oxy]methyl]ethyl ester, (5E,8E,11E,14E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 649.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 257.7±31.5 °C
Index of Refraction: 1.484
Molar Refractivity: 188.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 13.43
ACD/LogD (pH 5.5): 12.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 657.6±3.0 cm3

Click to predict properties on the Chemicalize site


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