ChemSpider 2D Image | (3,4-Dimethylbenzyl)boronic acid | C9H13BO2

(3,4-Dimethylbenzyl)boronic acid

  • Molecular FormulaC9H13BO2
  • Average mass164.009 Da
  • Monoisotopic mass164.100861 Da
  • ChemSpider ID43637682

More details:

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

(3,4-Dimethylbenzyl)boronic acid [ACD/IUPAC Name]
(3,4-Dimethylbenzyl)borsäure [German] [ACD/IUPAC Name]
Acide (3,4-diméthylbenzyl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[(3,4-dimethylphenyl)methyl]- [ACD/Index Name]
1350512-41-2 [RN]
MFCD18861664

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

Density: 1.1±0.1 g/cm3
Boiling Point: 329.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 153.1±30.7 °C
Index of Refraction: 1.522
Molar Refractivity: 47.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.98
ACD/KOC (pH 5.5): 443.24
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.89
ACD/KOC (pH 7.4): 442.19
Polar Surface Area: 40 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 155.3±3.0 cm3

Click to predict properties on the Chemicalize site


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