ChemSpider 2D Image | 3-Bromo-5-(2-methyl-2-propanyl)benzoic acid | C11H13BrO2

3-Bromo-5-(2-methyl-2-propanyl)benzoic acid

  • Molecular FormulaC11H13BrO2
  • Average mass257.124 Da
  • Monoisotopic mass256.009888 Da
  • ChemSpider ID24609575

More details:

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

3-Brom-5-(2-methyl-2-propanyl)benzoesäure [German] [ACD/IUPAC Name]
3-Bromo-5-(2-methyl-2-propanyl)benzoic acid [ACD/IUPAC Name]
Acide 3-bromo-5-(2-méthyl-2-propanyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-5-(1,1-dimethylethyl)- [ACD/Index Name]
[794465-45-5] [RN]
3-bromo-5-(1,1-dimethylethyl)Benzoic acid
3-Bromo-5-(tert-butyl)benzoic acid
3-Bromo-5-(tert-butyl)benzoicacid
3-Bromo-5-tert-butylbenzoic acid
3-Bromo-5-tert-butyl-benzoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 320.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 59.4±3.0 kJ/mol
    Flash Point: 147.8±25.9 °C
    Index of Refraction: 1.554
    Molar Refractivity: 59.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.40
    ACD/LogD (pH 5.5): 2.43
    ACD/BCF (pH 5.5): 17.23
    ACD/KOC (pH 5.5): 94.49
    ACD/LogD (pH 7.4): 1.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.77
    Polar Surface Area: 37 Å2
    Polarizability: 23.5±0.5 10-24cm3
    Surface Tension: 41.1±3.0 dyne/cm
    Molar Volume: 184.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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