Brodifacoum C31H23BrO3 structure

Flashcard maker : Will Walter

Molecular Formula C31H23BrO3
Average mass 523.417 Da
Density 1.4┬▒0.1 g/cm3
Boiling Point 644.3┬▒55.0 °C at 760 mmHg
Flash Point 343.5┬▒31.5 °C
Molar Refractivity 139.2┬▒0.3 cm3
Polarizability 55.2┬▒0.5 10-24cm3
Surface Tension 58.4┬▒3.0 dyne/cm
Molar Volume 365.6┬▒3.0 cm3
  • Predicted – ACD/Labs
  • Predicted – ChemAxon

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

Density: 1.4┬▒0.1 g/cm3
Boiling Point: 644.3┬▒55.0 °C at 760 mmHg
Vapour Pressure: 0.0┬▒2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9┬▒3.0 kJ/mol
Flash Point: 343.5┬▒31.5 °C
Index of Refraction: 1.686
Molar Refractivity: 139.2┬▒0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 8.89
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 39663.72
ACD/KOC (pH 5.5): 34476.89
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 684.21
ACD/KOC (pH 7.4): 594.74
Polar Surface Area: 47 Å2
Polarizability: 55.2┬▒0.5 10-24cm3
Surface Tension: 58.4┬▒3.0 dyne/cm
Molar Volume: 365.6┬▒3.0 cm3

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