ChemSpider 2D Image | 6-Chloro-3-hexyl-4-methyl-7-[(3-oxo-2-butanyl)oxy]-2H-chromen-2-one | C20H25ClO4

6-Chloro-3-hexyl-4-methyl-7-[(3-oxo-2-butanyl)oxy]-2H-chromen-2-one

  • Molecular FormulaC20H25ClO4
  • Average mass364.863 Da
  • Monoisotopic mass364.144135 Da
  • ChemSpider ID21667819

More details:

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

2H-1-Benzopyran-2-one, 6-chloro-3-hexyl-4-methyl-7-(1-methyl-2-oxopropoxy)- [ACD/Index Name]
6-Chlor-3-hexyl-4-methyl-7-[(3-oxo-2-butanyl)oxy]-2H-chromen-2-on [German] [ACD/IUPAC Name]
6-Chloro-3-hexyl-4-methyl-7-[(3-oxo-2-butanyl)oxy]-2H-chromen-2-one [ACD/IUPAC Name]
6-Chloro-3-hexyl-4-méthyl-7-[(3-oxo-2-butanyl)oxy]-2H-chromén-2-one [French] [ACD/IUPAC Name]
438035-93-9 [RN]
6-chloro-3-hexyl-4-methyl-7-(1-methyl-2-oxopropoxy)chromen-2-one
6-Chloro-3-hexyl-4-methyl-7-(1-methyl-2-oxo-propoxy)-chromen-2-one
6-chloro-3-hexyl-4-methyl-7-(3-oxobutan-2-yloxy)chromen-2-one
6-chloro-3-hexyl-4-methyl-7-[(3-oxobutan-2-yl)oxy]-2H-chromen-2-one
MFCD03029491

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 500.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.9±3.0 kJ/mol
    Flash Point: 177.1±29.1 °C
    Index of Refraction: 1.524
    Molar Refractivity: 97.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 5.66
    ACD/LogD (pH 5.5): 5.85
    ACD/BCF (pH 5.5): 16371.59
    ACD/KOC (pH 5.5): 36143.77
    ACD/LogD (pH 7.4): 5.85
    ACD/BCF (pH 7.4): 16371.59
    ACD/KOC (pH 7.4): 36143.77
    Polar Surface Area: 53 Å2
    Polarizability: 38.8±0.5 10-24cm3
    Surface Tension: 38.8±3.0 dyne/cm
    Molar Volume: 319.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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