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Trioctyl trimellitate C33H54O6 structure

Flashcard maker : Daphne Armenta

Molecular Formula C33H54O6
Average mass 546.778 Da
Density 1.0±0.1 g/cm3
Boiling Point 594.8±30.0 °C at 760 mmHg
Flash Point 242.5±24.6 °C
Molar Refractivity 158.9±0.3 cm3
Polarizability 63.0±0.5 10-24cm3
Surface Tension 37.2±3.0 dyne/cm
Molar Volume 549.8±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 099054

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

Density: 1.0±0.1 g/cm3
Boiling Point: 594.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 242.5±24.6 °C
Index of Refraction: 1.490
Molar Refractivity: 158.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 13.35
ACD/LogD (pH 5.5): 12.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 549.8±3.0 cm3

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