ChemSpider 2D Image | 2,2-Bis[(~2~H_3_)methyl]-1-butanol | C6H8D6O

2,2-Bis[(2H3)methyl]-1-butanol

  • Molecular FormulaC6H8D6O
  • Average mass108.212 Da
  • Monoisotopic mass108.142128 Da
  • ChemSpider ID23936577

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Butanol, 2,2-di(methyl-d3)- [ACD/Index Name]
2,2-Bis[(2H3)methyl]-1-butanol [ACD/IUPAC Name]
2,2-Bis[(2H3)methyl]-1-butanol [German] [ACD/IUPAC Name]
2,2-Bis[(2H3)méthyl]-1-butanol [French] [ACD/IUPAC Name]
101419-74-3 [RN]
2,2-bis(trideuteriomethyl)butan-1-ol
2,2-Bis[(2H3)methyl]butan-1-ol
2,2-Dimethyl-2-butanol-d6

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

    Density: 0.8±0.1 g/cm3
    Boiling Point: 136.5±0.0 °C at 760 mmHg
    Vapour Pressure: 3.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 43.6±6.0 kJ/mol
    Flash Point: 37.4±8.6 °C
    Index of Refraction: 1.415
    Molar Refractivity: 31.3±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.57
    ACD/LogD (pH 5.5): 1.37
    ACD/BCF (pH 5.5): 6.47
    ACD/KOC (pH 5.5): 132.52
    ACD/LogD (pH 7.4): 1.37
    ACD/BCF (pH 7.4): 6.47
    ACD/KOC (pH 7.4): 132.52
    Polar Surface Area: 20 Å2
    Polarizability: 12.4±0.5 10-24cm3
    Surface Tension: 26.0±3.0 dyne/cm
    Molar Volume: 125.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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