ChemSpider 2D Image | 1,2,3-Propanetriyl tris(3-oxooctanoate) | C27H44O9

1,2,3-Propanetriyl tris(3-oxooctanoate)

  • Molecular FormulaC27H44O9
  • Average mass512.633 Da
  • Monoisotopic mass512.298523 Da
  • ChemSpider ID99056

More details:

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

1,2,3-Propanetriyl tris(3-oxooctanoate) [ACD/IUPAC Name]
1,2,3-Propantriyl-tris(3-oxooctanoat) [German] [ACD/IUPAC Name]
270-586-2 [EINECS]
68444-14-4 [RN]
Octanoic acid, 3-oxo-, 1,2,3-propanetriyl ester [ACD/Index Name]
Propane-1,2,3-triyl tris(3-oxooctanoate)
Tris(3-oxooctanoate) de 1,2,3-propanetriyle [French] [ACD/IUPAC Name]
1,3-BIS[(3-OXOOCTANOYL)OXY]PROPAN-2-YL 3-OXOOCTANOATE
6945-24-0 [RN]
Glyceryl tri(3-oxooctanoate)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 569.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 236.4±28.8 °C
Index of Refraction: 1.468
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15422.87
ACD/KOC (pH 5.5): 34630.42
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 15246.46
ACD/KOC (pH 7.4): 34234.30
Polar Surface Area: 130 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 476.4±3.0 cm3

Click to predict properties on the Chemicalize site


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