ChemSpider 2D Image | 3-(Pentadecanoyloxy)-1,2-propanediyl (9E,9'E)bis(-9-octadecenoate) | C54H100O6

3-(Pentadecanoyloxy)-1,2-propanediyl (9E,9'E)bis(-9-octadecenoate)

  • Molecular FormulaC54H100O6
  • Average mass845.368 Da
  • Monoisotopic mass844.752014 Da
  • ChemSpider ID59699904

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9E,9'E)Bis(-9-octadécénoate) de 3-(pentadecanoyloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
3-(Pentadecanoyloxy)-1,2-propandiyl-(9E,9'E)bis(-9-octadecenoat) [German] [ACD/IUPAC Name]
3-(Pentadecanoyloxy)-1,2-propanediyl (9E,9'E)bis(-9-octadecenoate) [ACD/IUPAC Name]
9-Octadecenoic acid, 1-[[(1-oxopentadecyl)oxy]methyl]-1,2-ethanediyl ester, (9E,9'E)- [ACD/Index Name]
(2R)-1-(octadec-9-enoyloxy)-3-(pentadecanoyloxy)propan-2-yl octadec-9-enoate
TG(15:0/18:1(9Z)/18:1(9Z))[iso3]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 793.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 296.3±27.4 °C
Index of Refraction: 1.473
Molar Refractivity: 257.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.64
ACD/LogD (pH 5.5): 21.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 102.1±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 918.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement