ChemSpider 2D Image | 5-Hydroxy-2-(4,4,5,5-~2~H_4_)pentanone | C5H6D4O2

5-Hydroxy-2-(4,4,5,5-2H4)pentanone

  • Molecular FormulaC5H6D4O2
  • Average mass106.156 Da
  • Monoisotopic mass106.093185 Da
  • ChemSpider ID48057704

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Pentanone-4,4,5,5-d4, 5-hydroxy- [ACD/Index Name]
5-Hydroxy-2-(4,4,5,5-2H4)pentanon [German] [ACD/IUPAC Name]
5-Hydroxy-2-(4,4,5,5-2H4)pentanone [ACD/IUPAC Name]
5-Hydroxy-2-(4,4,5,5-2H4)pentanone [French] [ACD/IUPAC Name]
1215544-11-8 [RN]
3-ACETOPROPANOL-D4
4,4,5,5-tetradeuterio-5-hydroxypentan-2-one

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 204.0±23.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 51.2±6.0 kJ/mol
    Flash Point: 93.3±0.0 °C
    Index of Refraction: 1.421
    Molar Refractivity: 26.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.57
    ACD/LogD (pH 5.5): -0.34
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 15.49
    ACD/LogD (pH 7.4): -0.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 15.49
    Polar Surface Area: 37 Å2
    Polarizability: 10.6±0.5 10-24cm3
    Surface Tension: 32.8±3.0 dyne/cm
    Molar Volume: 105.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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