ChemSpider 2D Image | 4-Hydroxy-3,5-bis[(~2~H_3_)methyl](~2~H_2_)benzonitrile | C9HD8NO

4-Hydroxy-3,5-bis[(2H3)methyl](2H2)benzonitrile

  • Molecular FormulaC9HD8NO
  • Average mass155.223 Da
  • Monoisotopic mass155.118622 Da
  • ChemSpider ID48060293

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Hydroxy-3,5-bis[(2H3)methyl](2H2)benzonitril [German] [ACD/IUPAC Name]
4-Hydroxy-3,5-bis[(2H3)methyl](2H2)benzonitrile [ACD/IUPAC Name]
4-Hydroxy-3,5-bis[(2H3)méthyl](2H2)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile-2,6-d2, 4-hydroxy-3,5-di(methyl-d3)- [ACD/Index Name]
1142096-16-9 [RN]
2,6-dideuterio-4-hydroxy-3,5-bis(trideuteriomethyl)benzonitrile
3,5-Dimethyl-4-hydroxybenzonitrile-d8

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 310.6±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.3±3.0 kJ/mol
    Flash Point: 141.7±24.6 °C
    Index of Refraction: 1.564
    Molar Refractivity: 42.1±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.52
    ACD/LogD (pH 5.5): 2.65
    ACD/BCF (pH 5.5): 60.76
    ACD/KOC (pH 5.5): 657.99
    ACD/LogD (pH 7.4): 2.62
    ACD/BCF (pH 7.4): 56.77
    ACD/KOC (pH 7.4): 614.74
    Polar Surface Area: 44 Å2
    Polarizability: 16.7±0.5 10-24cm3
    Surface Tension: 50.4±5.0 dyne/cm
    Molar Volume: 129.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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