ChemSpider 2D Image | 3,3-Dimethyl-2-(1,1,1-~2~H_3_)butanol | C6H11D3O

3,3-Dimethyl-2-(1,1,1-2H3)butanol

  • Molecular FormulaC6H11D3O
  • Average mass105.193 Da
  • Monoisotopic mass105.123299 Da
  • ChemSpider ID73988181

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Butan-1,1,1-d3-ol, 3,3-dimethyl- [ACD/Index Name]
3,3-Dimethyl-2-(1,1,1-2H3)butanol [German] [ACD/IUPAC Name]
3,3-Dimethyl-2-(1,1,1-2H3)butanol [ACD/IUPAC Name]
3,3-Diméthyl-2-(1,1,1-2H3)butanol [French] [ACD/IUPAC Name]
3,3-dimethyl-2-butanol-d3
55755-07-2 [RN]

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

    Density: 0.8±0.1 g/cm3
    Boiling Point: 117.8±8.0 °C at 760 mmHg
    Vapour Pressure: 8.5±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 41.5±6.0 kJ/mol
    Flash Point: 28.9±0.0 °C
    Index of Refraction: 1.413
    Molar Refractivity: 31.3±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): 1.36
    ACD/BCF (pH 5.5): 6.41
    ACD/KOC (pH 5.5): 131.52
    ACD/LogD (pH 7.4): 1.36
    ACD/BCF (pH 7.4): 6.41
    ACD/KOC (pH 7.4): 131.52
    Polar Surface Area: 20 Å2
    Polarizability: 12.4±0.5 10-24cm3
    Surface Tension: 24.8±3.0 dyne/cm
    Molar Volume: 125.5±3.0 cm3

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