ChemSpider 2D Image | 3-Borono-5-(tert-butyl)benzoic acid | C11H15BO4

3-Borono-5-(tert-butyl)benzoic acid

  • Molecular FormulaC11H15BO4
  • Average mass222.045 Da
  • Monoisotopic mass222.106339 Da
  • ChemSpider ID26530626

More details:

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

1217501-55-7 [RN]
3-(Dihydroxyboryl)-5-(2-methyl-2-propanyl)benzoesäure [German] [ACD/IUPAC Name]
3-(Dihydroxyboryl)-5-(2-methyl-2-propanyl)benzoic acid [ACD/IUPAC Name]
3-Borono-5-(tert-butyl)benzoic acid
Acide 3-(dihydroxyboryl)-5-(2-méthyl-2-propanyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-borono-5-(1,1-dimethylethyl)- [ACD/Index Name]
[1217501-55-7] [RN]
3-Borono-5-t-butylbenzoic acid
3-Borono-5-tert-butylbenzoic acid
3-t-butyl-5-carboxyphenylboronic acid
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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: 423.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.4±3.0 kJ/mol
    Flash Point: 209.6±31.5 °C
    Index of Refraction: 1.546
    Molar Refractivity: 58.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.95
    ACD/LogD (pH 5.5): 1.05
    ACD/BCF (pH 5.5): 1.42
    ACD/KOC (pH 5.5): 14.30
    ACD/LogD (pH 7.4): -0.25
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 78 Å2
    Polarizability: 23.0±0.5 10-24cm3
    Surface Tension: 49.6±5.0 dyne/cm
    Molar Volume: 183.5±5.0 cm3

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