ChemSpider 2D Image | 3-Hydroxy-3-(~2~H_3_)methyl(~2~H_5_)butanoic acid | C5H2D8O3

3-Hydroxy-3-(2H3)methyl(2H5)butanoic acid

  • Molecular FormulaC5H2D8O3
  • Average mass126.180 Da
  • Monoisotopic mass126.113205 Da
  • ChemSpider ID58780259

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Hydroxy-3-(2H3)methyl(2H5)butanoic acid [ACD/IUPAC Name]
3-Hydroxy-3-(2H3)methyl(2H5)butansäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-3-(2H3)méthyl(2H5)butanoïque [French] [ACD/IUPAC Name]
Butanoic-2,2,4,4,4-d5 acid, 3-hydroxy-3-(methyl-d3)- [ACD/Index Name]
??-Hydroxyisovaleric Acid-d8
123743-99-7 [RN]
β-hydroxyisovaleric acid-d8

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 242.8±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 55.8±6.0 kJ/mol
    Flash Point: 114.9±19.1 °C
    Index of Refraction: 1.460
    Molar Refractivity: 28.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.79
    ACD/LogD (pH 5.5): -1.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.02
    ACD/LogD (pH 7.4): -3.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 58 Å2
    Polarizability: 11.2±0.5 10-24cm3
    Surface Tension: 43.2±3.0 dyne/cm
    Molar Volume: 103.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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