ChemSpider 2D Image | (~2~H_5_)-1,2,3-Propanetriyl (9Z,9'Z,9''Z)tris(-9-octadecenoate) | C57H99D5O6

(2H5)-1,2,3-Propanetriyl (9Z,9'Z,9''Z)tris(-9-octadecenoate)

  • Molecular FormulaC57H99D5O6
  • Average mass890.463 Da
  • Monoisotopic mass889.814697 Da
  • ChemSpider ID25196733
  • 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

(2H5)-1,2,3-Propanetriyl (9Z,9'Z,9''Z)tris(-9-octadecenoate) [ACD/IUPAC Name]
(2H5)-1,2,3-Propantriyl-(9Z,9'Z,9''Z)tris(-9-octadecenoat) [German] [ACD/IUPAC Name]
(9Z,9'Z,9''Z)Tris(-9-octadécénoate) de (2H5)-1,2,3-propanetriyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, 1,2,3-propanetriyl-d5 ester, (9Z,9'Z,9''Z)- [ACD/Index Name]
60892-83-3 [RN]
Glyceryl tri(cis-9-octadecenoate), Triolein
Glyceryl-d5 Trioleate
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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