ChemSpider 2D Image | (3-Ethyl-4-methylphenyl)boronic acid | C9H13BO2

(3-Ethyl-4-methylphenyl)boronic acid

  • Molecular FormulaC9H13BO2
  • Average mass164.009 Da
  • Monoisotopic mass164.100861 Da
  • ChemSpider ID57566424

More details:

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

(3-Ethyl-4-methylphenyl)boronic acid [ACD/IUPAC Name]
(3-Ethyl-4-methylphenyl)borsäure [German] [ACD/IUPAC Name]
Acide (3-éthyl-4-méthylphényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-(3-ethyl-4-methylphenyl)- [ACD/Index Name]
1313617-56-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 311.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.3±3.0 kJ/mol
Flash Point: 142.1±30.7 °C
Index of Refraction: 1.518
Molar Refractivity: 47.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.91
ACD/KOC (pH 5.5): 604.08
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.21
ACD/KOC (pH 7.4): 584.99
Polar Surface Area: 40 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 38.7±5.0 dyne/cm
Molar Volume: 155.7±5.0 cm3

Click to predict properties on the Chemicalize site


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