ChemSpider 2D Image | 6-Chloro-3-hexyl-4-methyl-7-[(3-methyl-2-buten-1-yl)oxy]-2H-chromen-2-one | C21H27ClO3

6-Chloro-3-hexyl-4-methyl-7-[(3-methyl-2-buten-1-yl)oxy]-2H-chromen-2-one

  • Molecular FormulaC21H27ClO3
  • Average mass362.890 Da
  • Monoisotopic mass362.164886 Da
  • ChemSpider ID21675313

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-[(3-methyl-2-buten-1-yl)oxy]- [ACD/Index Name]
6-Chlor-3-hexyl-4-methyl-7-[(3-methyl-2-buten-1-yl)oxy]-2H-chromen-2-on [German] [ACD/IUPAC Name]
6-Chloro-3-hexyl-4-methyl-7-[(3-methyl-2-buten-1-yl)oxy]-2H-chromen-2-one [ACD/IUPAC Name]
6-Chloro-3-hexyl-4-méthyl-7-[(3-méthyl-2-butén-1-yl)oxy]-2H-chromén-2-one [French] [ACD/IUPAC Name]
446278-96-2 [RN]
6-chloro-3-hexyl-4-methyl-7-(3-methylbut-2-enoxy)chromen-2-one
6-chloro-3-hexyl-4-methyl-7-(3-methylbut-2-enyloxy)chromen-2-one
6-Chloro-3-hexyl-4-methyl-7-(3-methyl-but-2-enyloxy)-chromen-2-one
6-chloro-3-hexyl-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-chromen-2-one
MFCD03029706

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 493.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.1±3.0 kJ/mol
    Flash Point: 170.1±27.7 °C
    Index of Refraction: 1.528
    Molar Refractivity: 102.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 8.29
    ACD/LogD (pH 5.5): 7.51
    ACD/BCF (pH 5.5): 299863.41
    ACD/KOC (pH 5.5): 289705.03
    ACD/LogD (pH 7.4): 7.51
    ACD/BCF (pH 7.4): 299863.41
    ACD/KOC (pH 7.4): 289705.03
    Polar Surface Area: 36 Å2
    Polarizability: 40.6±0.5 10-24cm3
    Surface Tension: 36.9±3.0 dyne/cm
    Molar Volume: 332.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement