ChemSpider 2D Image | 3-Bromo-2,2-bis(bromomethyl)propanenitrile | C5H6Br3N

3-Bromo-2,2-bis(bromomethyl)propanenitrile

  • Molecular FormulaC5H6Br3N
  • Average mass319.820 Da
  • Monoisotopic mass316.805023 Da
  • ChemSpider ID128766992

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Brom-2,2-bis(brommethyl)propannitril [German] [ACD/IUPAC Name]
3-Bromo-2,2-bis(bromomethyl)propanenitrile [ACD/IUPAC Name]
3-Bromo-2,2-bis(bromométhyl)propanenitrile [French] [ACD/IUPAC Name]
Propanenitrile, 3-bromo-2,2-bis(bromomethyl)- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 298.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.8±3.0 kJ/mol
Flash Point: 134.2±27.3 °C
Index of Refraction: 1.585
Molar Refractivity: 48.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 179.16
ACD/KOC (pH 5.5): 1427.18
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 179.16
ACD/KOC (pH 7.4): 1427.18
Polar Surface Area: 24 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 144.0±3.0 cm3

Click to predict properties on the Chemicalize site


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