ChemSpider 2D Image | 1,2,3-Propanetriyl tris(9-octadecenoate) | C57H104O6

1,2,3-Propanetriyl tris(9-octadecenoate)

  • Molecular FormulaC57H104O6
  • Average mass885.432 Da
  • Monoisotopic mass884.783264 Da
  • ChemSpider ID28948

More details:



Featured data source



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

1,2,3-Propanetriyl tris(9-octadecenoate) [ACD/IUPAC Name]
1,2,3-Propantriyl-tris(9-octadecenoat) [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 1,2,3-propanetriyl ester [ACD/Index Name]
Tris(9-octadécénoate) de 1,2,3-propanetriyle [French] [ACD/IUPAC Name]
122-32-7 [RN]
Triolein [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 818.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 302.7±31.5 °C
Index of Refraction: 1.477
Molar Refractivity: 271.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.71
ACD/LogD (pH 5.5): 22.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.10
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: 34.7±3.0 dyne/cm
Molar Volume: 961.1±3.0 cm3

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