ChemSpider 2D Image | Ddiv | C13H20O3

Ddiv

  • Molecular FormulaC13H20O3
  • Average mass224.296 Da
  • Monoisotopic mass224.141251 Da
  • ChemSpider ID11601946

More details:

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

1,3-Cyclohexanedione, 5,5-dimethyl-2-(3-methyl-1-oxobutyl)- [ACD/Index Name]
172611-72-2 [RN]
2-(3-Methylbutyryl)-5,5-dimethyl-1,3-cyclohexandione
2-Isovaleryldimedone
5,5-Dimethyl-2-(3-methylbutanoyl)-1,3-cyclohexandion [German] [ACD/IUPAC Name]
5,5-Dimethyl-2-(3-methylbutanoyl)-1,3-cyclohexanedione [ACD/IUPAC Name]
5,5-Diméthyl-2-(3-méthylbutanoyl)-1,3-cyclohexanedione [French] [ACD/IUPAC Name]
5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione
5,5-Dimethyl-2-(3-methylbutyryl)-1,3-cyclohexanedione
Ddiv
More...

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

3275155 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 344.5±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.8±3.0 kJ/mol
    Flash Point: 145.1±20.3 °C
    Index of Refraction: 1.463
    Molar Refractivity: 60.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.68
    ACD/LogD (pH 5.5): 0.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.91
    ACD/LogD (pH 7.4): -0.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.12
    Polar Surface Area: 51 Å2
    Polarizability: 23.9±0.5 10-24cm3
    Surface Tension: 34.0±3.0 dyne/cm
    Molar Volume: 219.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement