ChemSpider 2D Image | (2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tri-4,1-phenylene trioctanoate | C45H57N3O9

(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tri-4,1-phenylene trioctanoate

  • Molecular FormulaC45H57N3O9
  • Average mass783.949 Da
  • Monoisotopic mass783.409485 Da
  • ChemSpider ID8435144

More details:

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

(2,4,6-Trioxo-1,3,5-triazinan-1,3,5-triyl)tri-4,1-phenylen-trioctanoat [German] [ACD/IUPAC Name]
(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tri-4,1-phenylene trioctanoate [ACD/IUPAC Name]
Octanoic acid, (2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-4,1-phenylene ester [ACD/Index Name]
Trioctanoate de (2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tri-4,1-phénylène [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 829.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 455.5±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 215.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: 9.92
ACD/LogD (pH 5.5): 10.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 140 Å2
Polarizability: 85.5±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 671.7±3.0 cm3

Click to predict properties on the Chemicalize site


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