ChemSpider 2D Image | 5-Oxo(4,4,6,6,6-~2~H_5_)hexanoic acid | C6H5D5O3

5-Oxo(4,4,6,6,6-2H5)hexanoic acid

  • Molecular FormulaC6H5D5O3
  • Average mass135.173 Da
  • Monoisotopic mass135.094376 Da
  • ChemSpider ID48059673

  • Non-standard isotope - Non-standard isotope

More details:

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

5-Oxo(4,4,6,6,6-2H5)hexanoic acid [ACD/IUPAC Name]
5-Oxo(4,4,6,6,6-2H5)hexansäure [German] [ACD/IUPAC Name]
Acide 5-oxo(4,4,6,6,6-2H5)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic-4,4,6,6,6-d5 acid, 5-oxo- [ACD/Index Name]
1246817-13-9 [RN]
4,4,6,6,6-pentadeuterio-5-oxohexanoic acid
4-Acetylbutyric Acid-d5 (Major)

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 275.5±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 56.6±6.0 kJ/mol
    Flash Point: 134.6±16.3 °C
    Index of Refraction: 1.440
    Molar Refractivity: 31.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.13
    ACD/LogD (pH 5.5): -0.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.96
    ACD/LogD (pH 7.4): -2.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 54 Å2
    Polarizability: 12.5±0.5 10-24cm3
    Surface Tension: 38.8±3.0 dyne/cm
    Molar Volume: 119.3±3.0 cm3

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