Triolein C57H104O6 structure – Flashcards

Flashcard maker : Sean Mitchell

Molecular Formula C57H104O6
Average mass 885.432 Da
Density 0.9±0.1 g/cm3
Boiling Point 818.7±55.0 °C at 760 mmHg
Flash Point 302.7±31.5 °C
Molar Refractivity 271.6±0.3 cm3
Polarizability 107.7±0.5 10-24cm3
Surface Tension 34.7±3.0 dyne/cm
Molar Volume 961.1±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      -5.5 °C LabNetwork LN00195010
    • Experimental Boiling Point:

      235-240 °C / 18 mm Hg (409.0762-415.6353 °C / 760 mmHg)
      LabNetwork LN00195010
    • Experimental Flash Point:

      330 °C LabNetwork LN00195010

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

Click to predict properties on the Chemicalize site

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