ChemSpider 2D Image | 3-[(2-~2~H)Phenyl](2,2-~2~H_2_)propanenitrile | C9H6D3N

3-[(2-2H)Phenyl](2,2-2H2)propanenitrile

  • Molecular FormulaC9H6D3N
  • Average mass134.193 Da
  • Monoisotopic mass134.092331 Da
  • ChemSpider ID77005970

  • Non-standard isotope - Non-standard isotope

More details:

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

3-[(2-2H)Phenyl](2,2-2H2)propanenitrile [ACD/IUPAC Name]
3-[(2-2H)Phényl](2,2-2H2)propanenitrile [French] [ACD/IUPAC Name]
3-[(2-2H)Phenyl](2,2-2H2)propannitril [German] [ACD/IUPAC Name]
Benzene-2-d-propanenitrile-α,α-d2 [ACD/Index Name]
2241982-86-3 [RN]
3-(phenyl-2-d)propanenitrile-2,2-d2
MFCD31699963

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 261.8±9.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.0±3.0 kJ/mol
    Flash Point: 129.0±5.1 °C
    Index of Refraction: 1.523
    Molar Refractivity: 40.3±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.72
    ACD/LogD (pH 5.5): 1.77
    ACD/BCF (pH 5.5): 13.15
    ACD/KOC (pH 5.5): 220.11
    ACD/LogD (pH 7.4): 1.77
    ACD/BCF (pH 7.4): 13.15
    ACD/KOC (pH 7.4): 220.11
    Polar Surface Area: 24 Å2
    Polarizability: 16.0±0.5 10-24cm3
    Surface Tension: 39.8±3.0 dyne/cm
    Molar Volume: 132.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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