ChemSpider 2D Image | 1,2,3-Propanetriyl (9Z,9'Z,9''Z)tris-(9,10-~3~H_2_)-9-octadecenoate | C57H98T6O6

1,2,3-Propanetriyl (9Z,9'Z,9''Z)tris-(9,10-3H2)-9-octadecenoate

  • Molecular FormulaC57H98T6O6
  • Average mass897.481 Da
  • Monoisotopic mass896.832642 Da
  • ChemSpider ID4534955
  • 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

(9Z,9'Z,9''Z)Tris-(9,10-3H2)-9-octadécénoate de 1,2,3-propanetriyle [French] [ACD/IUPAC Name]
1,2,3-Propanetriyl (9Z,9'Z,9''Z)tris-(9,10-3H2)-9-octadecenoate [ACD/IUPAC Name]
1,2,3-Propantriyl-(9Z,9'Z,9''Z)tris-(9,10-3H2)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic-9,10-t2 acid, 1,2,3-propanetriyl ester, (9Z,9'Z,9''Z)- [ACD/Index Name]
70805-83-3 [RN]
9-octadecenoic acid, 1,2,3-propanetriyl ester, [9,10(n)-3H](9Z,9'Z,9''Z)-
9-Octadecenoic-9,10-t2 acid, 1,2,3-propanetriyl ester, (Z,Z,Z)- (9CI)
9-Octadecenoic-9,10-t2acid, 1,2,3-propanetriyl ester, (Z,Z,Z)- (9CI)
9-Octadecenoic-9,10-t2acid,1,2,3-propanetriyl ester,(Z,Z,Z)-(9ci)
Propane-1,2,3-triyl (9Z,9'Z,9''Z)tri-(9,10-3H2)octadec-9-enoate

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

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:
Molar Refractivity:
#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
Surface Tension:
Molar Volume:

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