ChemSpider 2D Image | [2-Ethoxy-6-(1-pentyn-1-yl)phenyl]boronic acid | C13H17BO3

[2-Ethoxy-6-(1-pentyn-1-yl)phenyl]boronic acid

  • Molecular FormulaC13H17BO3
  • Average mass232.083 Da
  • Monoisotopic mass232.127075 Da
  • ChemSpider ID81583160

More details:

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

[2-Ethoxy-6-(1-pentin-1-yl)phenyl]borsäure [German] [ACD/IUPAC Name]
[2-Ethoxy-6-(1-pentyn-1-yl)phenyl]boronic acid [ACD/IUPAC Name]
Acide [2-éthoxy-6-(1-pentyn-1-yl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-ethoxy-6-(1-pentyn-1-yl)phenyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 423.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 210.0±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 65.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 166.54
ACD/KOC (pH 5.5): 1353.99
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 152.41
ACD/KOC (pH 7.4): 1239.14
Polar Surface Area: 50 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 210.7±5.0 cm3

Click to predict properties on the Chemicalize site


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