ChemSpider 2D Image | 4-Acetyl(~2~H_4_)benzonitrile | C9H3D4NO

4-Acetyl(2H4)benzonitrile

  • Molecular FormulaC9H3D4NO
  • Average mass149.183 Da
  • Monoisotopic mass149.077866 Da
  • ChemSpider ID48057591

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Acetyl(2H4)benzonitril [German] [ACD/IUPAC Name]
4-Acetyl(2H4)benzonitrile [ACD/IUPAC Name]
4-Acétyl(2H4)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile-2,3,5,6-d4, 4-acetyl- [ACD/Index Name]
1794964-28-5 [RN]
4-acetyl-2,3,5,6-tetradeuteriobenzonitrile
p-cyanoacetophenone-d4

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 293.3±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.3±3.0 kJ/mol
    Flash Point: 131.2±22.6 °C
    Index of Refraction: 1.539
    Molar Refractivity: 40.7±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.22
    ACD/LogD (pH 5.5): 1.36
    ACD/BCF (pH 5.5): 6.35
    ACD/KOC (pH 5.5): 130.70
    ACD/LogD (pH 7.4): 1.36
    ACD/BCF (pH 7.4): 6.35
    ACD/KOC (pH 7.4): 130.70
    Polar Surface Area: 41 Å2
    Polarizability: 16.1±0.5 10-24cm3
    Surface Tension: 45.1±5.0 dyne/cm
    Molar Volume: 129.9±5.0 cm3

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