ChemSpider 2D Image | CSID:21150158 | C44H48O12

  • Molecular FormulaC44H48O12
  • Average mass768.845 Da
  • Monoisotopic mass768.314575 Da
  • ChemSpider ID21150158

More details:

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1055.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.9±3.0 kJ/mol
Flash Point: 318.6±27.8 °C
Index of Refraction: 1.595
Molar Refractivity: 205.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 8.52
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 25.15
ACD/KOC (pH 5.5): 29.08
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 81.4±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 604.7±3.0 cm3

Click to predict properties on the Chemicalize site


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