ChemSpider 2D Image | 2-Methyl-4,6-bis(2-methyl-2-propanyl)benzonitrile | C16H23N

2-Methyl-4,6-bis(2-methyl-2-propanyl)benzonitrile

  • Molecular FormulaC16H23N
  • Average mass229.361 Da
  • Monoisotopic mass229.183044 Da
  • ChemSpider ID30208971

More details:

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

2-Methyl-4,6-bis(2-methyl-2-propanyl)benzonitril [German] [ACD/IUPAC Name]
2-Methyl-4,6-bis(2-methyl-2-propanyl)benzonitrile [ACD/IUPAC Name]
2-Méthyl-4,6-bis(2-méthyl-2-propanyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2,4-bis(1,1-dimethylethyl)-6-methyl- [ACD/Index Name]
17609-99-3 [RN]
2,4-ditert-butyl-6-methylbenzonitrile
AGN-PC-0J1Z72
AN-584/43471642
MolPort-023-299-990

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 304.6±21.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.5±3.0 kJ/mol
    Flash Point: 138.5±14.6 °C
    Index of Refraction: 1.502
    Molar Refractivity: 73.0±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.49
    ACD/LogD (pH 5.5): 5.36
    ACD/BCF (pH 5.5): 6910.45
    ACD/KOC (pH 5.5): 19494.40
    ACD/LogD (pH 7.4): 5.36
    ACD/BCF (pH 7.4): 6910.45
    ACD/KOC (pH 7.4): 19494.40
    Polar Surface Area: 24 Å2
    Polarizability: 28.9±0.5 10-24cm3
    Surface Tension: 34.8±5.0 dyne/cm
    Molar Volume: 247.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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