ChemSpider 2D Image | 1-Bromo-3-tert-butyl-5-methylbenzene | C11H15Br

1-Bromo-3-tert-butyl-5-methylbenzene

  • Molecular FormulaC11H15Br
  • Average mass227.141 Da
  • Monoisotopic mass226.035706 Da
  • ChemSpider ID21473027

More details:

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

193905-94-1 [RN]
1-Brom-3-methyl-5-(2-methyl-2-propanyl)benzol [German] [ACD/IUPAC Name]
1-Bromo-3-(tert-butyl)-5-methylbenzene
1-Bromo-3-methyl-5-(2-methyl-2-propanyl)benzene [ACD/IUPAC Name]
1-Bromo-3-méthyl-5-(2-méthyl-2-propanyl)benzène [French] [ACD/IUPAC Name]
1-Bromo-3-tert-butyl-5-methylbenzene
Benzene, 1-bromo-3-(1,1-dimethylethyl)-5-methyl- [ACD/Index Name]
MFCD09801037 [MDL number]
[193905-94-1] [RN]
1-(1-benzyl-1h-pyrazol-4-yl)-ethanone
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 231.5±9.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.9±3.0 kJ/mol
    Flash Point: 91.4±13.1 °C
    Index of Refraction: 1.518
    Molar Refractivity: 57.2±0.3 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 5.14
    ACD/LogD (pH 5.5): 5.05
    ACD/BCF (pH 5.5): 4088.16
    ACD/KOC (pH 5.5): 13388.28
    ACD/LogD (pH 7.4): 5.05
    ACD/BCF (pH 7.4): 4088.16
    ACD/KOC (pH 7.4): 13388.28
    Polar Surface Area: 0 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 30.6±3.0 dyne/cm
    Molar Volume: 188.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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