ChemSpider 2D Image | 3-Bromo-1,2-(~2~H_5_)propanediol | C3H2D5BrO2

3-Bromo-1,2-(2H5)propanediol

  • Molecular FormulaC3H2D5BrO2
  • Average mass160.021 Da
  • Monoisotopic mass158.994324 Da
  • ChemSpider ID48059767

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Propane-1,1,2,3,3-d5-diol, 3-bromo- [ACD/Index Name]
3-Brom-1,2-(2H5)propandiol [German] [ACD/IUPAC Name]
3-Bromo-1,2-(2H5)propanediol [ACD/IUPAC Name]
3-Bromo-1,2-(2H5)propanediol [French] [ACD/IUPAC Name]
1246820-48-3 [RN]
3-bromo-1,1,2,3,3-pentadeuteriopropane-1,2-diol
3-bromo-1,2-propanediol-d5

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 254.0±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 57.1±6.0 kJ/mol
    Flash Point: 126.5±23.2 °C
    Index of Refraction: 1.529
    Molar Refractivity: 26.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.79
    ACD/LogD (pH 5.5): -0.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 16.03
    ACD/LogD (pH 7.4): -0.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 16.03
    Polar Surface Area: 40 Å2
    Polarizability: 10.6±0.5 10-24cm3
    Surface Tension: 53.7±3.0 dyne/cm
    Molar Volume: 86.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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