ChemSpider 2D Image | 1-(4-Cyclohexylphenyl)-1,3-butanedione | C16H20O2

1-(4-Cyclohexylphenyl)-1,3-butanedione

  • Molecular FormulaC16H20O2
  • Average mass244.329 Da
  • Monoisotopic mass244.146332 Da
  • ChemSpider ID25661806

More details:

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

1-(4-Cyclohexylphenyl)-1,3-butandion [German] [ACD/IUPAC Name]
1-(4-Cyclohexylphenyl)-1,3-butanedione [ACD/IUPAC Name]
1-(4-Cyclohexylphényl)-1,3-butanedione [French] [ACD/IUPAC Name]
1,3-Butanedione, 1-(4-cyclohexylphenyl)- [ACD/Index Name]
1-(4-cyclohexylphenyl)butane-1,3-dione
1-(4-Cyclohexyl-phenyl)-butane-1,3-dione
1189122-32-4 [RN]
VS-13819

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 387.5±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 145.3±20.2 °C
    Index of Refraction: 1.527
    Molar Refractivity: 71.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.04
    ACD/LogD (pH 5.5): 4.00
    ACD/BCF (pH 5.5): 640.62
    ACD/KOC (pH 5.5): 3552.38
    ACD/LogD (pH 7.4): 3.98
    ACD/BCF (pH 7.4): 622.48
    ACD/KOC (pH 7.4): 3451.81
    Polar Surface Area: 34 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 39.8±3.0 dyne/cm
    Molar Volume: 232.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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