ChemSpider 2D Image | 4-[(6-Quinolinyloxy)methyl]benzonitrile | C17H12N2O

4-[(6-Quinolinyloxy)methyl]benzonitrile

  • Molecular FormulaC17H12N2O
  • Average mass260.290 Da
  • Monoisotopic mass260.094971 Da
  • ChemSpider ID24742315

More details:

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

4-[(6-Chinolinyloxy)methyl]benzonitril [German] [ACD/IUPAC Name]
4-[(6-Quinoléinyloxy)méthyl]benzonitrile [French] [ACD/IUPAC Name]
4-[(6-Quinolinyloxy)methyl]benzonitrile [ACD/IUPAC Name]
Benzonitrile, 4-[(6-quinolinyloxy)methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 469.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.8±24.6 °C
Index of Refraction: 1.665
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 262.69
ACD/KOC (pH 5.5): 1765.83
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 324.60
ACD/KOC (pH 7.4): 2181.99
Polar Surface Area: 46 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 209.3±5.0 cm3

Click to predict properties on the Chemicalize site


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