Phenylacetonitrile C8H5D2N structure

Flashcard maker : Aiden Simmons

Molecular FormulaC8H5D2N
Average mass119.160 Da
Density1.0┬▒0.1 g/cm3
Boiling Point233.5┬▒0.0 °C at 760 mmHg
Flash Point101.7┬▒0.0 °C
Molar Refractivity35.7┬▒0.3 cm3
Polarizability14.2┬▒0.5 10-24cm3
Surface Tension40.8┬▒3.0 dyne/cm
Molar Volume115.6┬▒3.0 cm3
  • Predicted – ACD/Labs
  • Predicted – ChemAxon

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

Density: 1.0┬▒0.1 g/cm3
Boiling Point: 233.5┬▒0.0 °C at 760 mmHg
Vapour Pressure: 0.1┬▒0.4 mmHg at 25°C
Enthalpy of Vaporization: 47.0┬▒3.0 kJ/mol
Flash Point: 101.7┬▒0.0 °C
Index of Refraction: 1.530
Molar Refractivity: 35.7┬▒0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.60
ACD/KOC (pH 5.5): 162.43
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.60
ACD/KOC (pH 7.4): 162.43
Polar Surface Area: 24 Å2
Polarizability: 14.2┬▒0.5 10-24cm3
Surface Tension: 40.8┬▒3.0 dyne/cm
Molar Volume: 115.6┬▒3.0 cm3

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