ChemSpider 2D Image | [2-(3-Methylphenyl)ethyl]boronic acid | C9H13BO2

[2-(3-Methylphenyl)ethyl]boronic acid

  • Molecular FormulaC9H13BO2
  • Average mass164.009 Da
  • Monoisotopic mass164.100861 Da
  • ChemSpider ID23119601

More details:

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

[2-(3-Methylphenyl)ethyl]boronic acid [ACD/IUPAC Name]
[2-(3-Methylphenyl)ethyl]borsäure [German] [ACD/IUPAC Name]
Acide [2-(3-méthylphényl)éthyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-(3-methylphenyl)ethyl]- [ACD/Index Name]
135791-71-8 [RN]
2-(3-Methylphenyl)ethyl boronic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL281606/
MFCD06212487

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

Density: 1.1±0.1 g/cm3
Boiling Point: 324.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 150.2±28.7 °C
Index of Refraction: 1.518
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.46
ACD/KOC (pH 5.5): 456.65
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.41
ACD/KOC (pH 7.4): 455.96
Polar Surface Area: 40 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 155.5±3.0 cm3

Click to predict properties on the Chemicalize site


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