ChemSpider 2D Image | (2S)-2-Bromo-4-phenylbutanenitrile | C10H10BrN

(2S)-2-Bromo-4-phenylbutanenitrile

  • Molecular FormulaC10H10BrN
  • Average mass224.097 Da
  • Monoisotopic mass222.999649 Da
  • ChemSpider ID67967324

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Brom-4-phenylbutannitril [German] [ACD/IUPAC Name]
(2S)-2-Bromo-4-phenylbutanenitrile [ACD/IUPAC Name]
(2S)-2-Bromo-4-phénylbutanenitrile [French] [ACD/IUPAC Name]
Benzenebutanenitrile, α-bromo-, (αS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 280.3±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.9±3.0 kJ/mol
Flash Point: 123.3±24.0 °C
Index of Refraction: 1.563
Molar Refractivity: 52.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.48
ACD/KOC (pH 5.5): 1348.32
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.48
ACD/KOC (pH 7.4): 1348.32
Polar Surface Area: 24 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 162.2±3.0 cm3

Click to predict properties on the Chemicalize site


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