ChemSpider 2D Image | (3-Hydroxy-3,6-dimethylheptyl)boronic acid | C9H21BO3

(3-Hydroxy-3,6-dimethylheptyl)boronic acid

  • Molecular FormulaC9H21BO3
  • Average mass188.072 Da
  • Monoisotopic mass188.158371 Da
  • ChemSpider ID26266952

More details:

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

(3-Hydroxy-3,6-dimethylheptyl)boronic acid [ACD/IUPAC Name]
(3-Hydroxy-3,6-dimethylheptyl)borsäure [German] [ACD/IUPAC Name]
Acide (3-hydroxy-3,6-diméthylheptyl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-(3-hydroxy-3,6-dimethylheptyl)- [ACD/Index Name]
1498308-83-0 [RN]
MFCD06212402

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

Density: 1.0±0.1 g/cm3
Boiling Point: 328.3±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.1±6.0 kJ/mol
Flash Point: 152.3±28.4 °C
Index of Refraction: 1.451
Molar Refractivity: 51.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.48
ACD/KOC (pH 5.5): 323.04
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.46
ACD/KOC (pH 7.4): 322.78
Polar Surface Area: 61 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 192.0±3.0 cm3

Click to predict properties on the Chemicalize site


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