ChemSpider 2D Image | 2-[(11E)-11-Octadecenoyloxy]-1,3-propanediyl (9E,12E,9'E,12'E)bis(-9,12-octadecadienoate) | C57H100O6

2-[(11E)-11-Octadecenoyloxy]-1,3-propanediyl (9E,12E,9'E,12'E)bis(-9,12-octadecadienoate)

  • Molecular FormulaC57H100O6
  • Average mass881.400 Da
  • Monoisotopic mass880.752014 Da
  • ChemSpider ID59696722

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E,12E,9'E,12'E)Bis(-9,12-octadécadiénoate) de 2-[(11E)-11-octadecenoyloxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
2-[(11E)-11-Octadecenoyloxy]-1,3-propandiyl-(9E,12E,9'E,12'E)bis(-9,12-octadecadienoat) [German] [ACD/IUPAC Name]
2-[(11E)-11-Octadecenoyloxy]-1,3-propanediyl (9E,12E,9'E,12'E)bis(-9,12-octadecadienoate) [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 2-[[(11E)-1-oxo-11-octadecen-1-yl]oxy]-1,3-propanediyl ester, (9E,12E,9'E,12'E)- [ACD/Index Name]
2-(octadec-11-enoyloxy)-3-(octadeca-9,12-dienoyloxy)propyl octadeca-9,12-dienoate
TG(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))[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: 817.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 302.9±32.9 °C
Index of Refraction: 1.485
Molar Refractivity: 271.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.68
ACD/LogD (pH 5.5): 19.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 948.3±3.0 cm3

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