ChemSpider 2D Image | (3-Ethoxy-5-methylphenyl)boronic acid | C9H13BO3

(3-Ethoxy-5-methylphenyl)boronic acid

  • Molecular FormulaC9H13BO3
  • Average mass180.009 Da
  • Monoisotopic mass180.095779 Da
  • ChemSpider ID26557831

More details:

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

(3-Ethoxy-5-methylphenyl)boronic acid [ACD/IUPAC Name]
(3-Ethoxy-5-methylphenyl)borsäure [German] [ACD/IUPAC Name]
1256346-05-0 [RN]
Acide (3-éthoxy-5-méthylphényl)boronique [French] [ACD/IUPAC Name]
B-(3-Ethoxy-5-methylphenyl)boronic acid
Boronic acid, B-(3-ethoxy-5-methylphenyl)- [ACD/Index Name]
(3-Ethoxy-5-methylphenyl)boronicacid
(3-Methyl-5-propoxyphenyl)boronic acid [ACD/IUPAC Name]
[1256346-05-0] [RN]
1256346-06-1 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 354.1±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.2±3.0 kJ/mol
    Flash Point: 168.0±30.7 °C
    Index of Refraction: 1.516
    Molar Refractivity: 48.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.50
    ACD/LogD (pH 5.5): 2.21
    ACD/BCF (pH 5.5): 27.99
    ACD/KOC (pH 5.5): 377.66
    ACD/LogD (pH 7.4): 2.15
    ACD/BCF (pH 7.4): 24.49
    ACD/KOC (pH 7.4): 330.46
    Polar Surface Area: 50 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 40.5±5.0 dyne/cm
    Molar Volume: 162.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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