ChemSpider 2D Image | 2-(~2~H_3_)Methyl-2-(1,1,1-~2~H_3_)butanol | C5H6D6O

2-(2H3)Methyl-2-(1,1,1-2H3)butanol

  • Molecular FormulaC5H6D6O
  • Average mass94.185 Da
  • Monoisotopic mass94.126472 Da
  • ChemSpider ID58779578

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(2H3)Methyl-2-(1,1,1-2H3)butanol [German] [ACD/IUPAC Name]
2-(2H3)Methyl-2-(1,1,1-2H3)butanol [ACD/IUPAC Name]
2-(2H3)Méthyl-2-(1,1,1-2H3)butanol [French] [ACD/IUPAC Name]
2-Butan-1,1,1-d3-ol, 2-(methyl-d3)- [ACD/Index Name]
1,1,1-trideuterio-2-(trideuteriomethyl)butan-2-ol
1,1-dimethyl-1-propanol-d6
75295-95-3 [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: 102.0±0.0 °C at 760 mmHg
    Vapour Pressure: 19.2±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 39.8±6.0 kJ/mol
    Flash Point: 21.1±0.0 °C
    Index of Refraction: 1.407
    Molar Refractivity: 26.7±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.04
    ACD/LogD (pH 5.5): 1.02
    ACD/BCF (pH 5.5): 3.52
    ACD/KOC (pH 5.5): 85.72
    ACD/LogD (pH 7.4): 1.02
    ACD/BCF (pH 7.4): 3.52
    ACD/KOC (pH 7.4): 85.72
    Polar Surface Area: 20 Å2
    Polarizability: 10.6±0.5 10-24cm3
    Surface Tension: 25.0±3.0 dyne/cm
    Molar Volume: 108.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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