ChemSpider 2D Image | 5-Chloro-2-hydroxy-3-{3-[(trimethylsilyl)oxy]-1-propyn-1-yl}benzonitrile | C13H14ClNO2Si

5-Chloro-2-hydroxy-3-{3-[(trimethylsilyl)oxy]-1-propyn-1-yl}benzonitrile

  • Molecular FormulaC13H14ClNO2Si
  • Average mass279.794 Da
  • Monoisotopic mass279.048218 Da
  • ChemSpider ID96597411

More details:

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

5-Chlor-2-hydroxy-3-{3-[(trimethylsilyl)oxy]-1-propin-1-yl}benzonitril [German] [ACD/IUPAC Name]
5-Chloro-2-hydroxy-3-{3-[(trimethylsilyl)oxy]-1-propyn-1-yl}benzonitrile [ACD/IUPAC Name]
5-Chloro-2-hydroxy-3-{3-[(triméthylsilyl)oxy]-1-propyn-1-yl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-chloro-2-hydroxy-3-[3-[(trimethylsilyl)oxy]-1-propyn-1-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 344.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 162.2±27.9 °C
Index of Refraction: 1.552
Molar Refractivity: 74.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 759.79
ACD/KOC (pH 5.5): 3540.58
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 26.98
ACD/KOC (pH 7.4): 125.74
Polar Surface Area: 53 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 231.6±5.0 cm3

Click to predict properties on the Chemicalize site


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