ChemSpider 2D Image | 3-(4-Nitrophenoxy)benzonitrile | C13H8N2O3

3-(4-Nitrophenoxy)benzonitrile

  • Molecular FormulaC13H8N2O3
  • Average mass240.214 Da
  • Monoisotopic mass240.053497 Da
  • ChemSpider ID25889388

More details:

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

3-(4-Nitrophenoxy)benzonitril [German] [ACD/IUPAC Name]
3-(4-Nitrophenoxy)benzonitrile [ACD/IUPAC Name]
3-(4-Nitrophénoxy)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-(4-nitrophenoxy)- [ACD/Index Name]
17076-74-3 [RN]
MFCD19289635 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 376.7±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.4±3.0 kJ/mol
    Flash Point: 181.6±22.3 °C
    Index of Refraction: 1.635
    Molar Refractivity: 63.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.73
    ACD/LogD (pH 5.5): 3.32
    ACD/BCF (pH 5.5): 196.21
    ACD/KOC (pH 5.5): 1523.13
    ACD/LogD (pH 7.4): 3.32
    ACD/BCF (pH 7.4): 196.21
    ACD/KOC (pH 7.4): 1523.13
    Polar Surface Area: 79 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 63.3±5.0 dyne/cm
    Molar Volume: 178.2±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement