ChemSpider 2D Image | 3-Chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile | C16H14ClNO2

3-Chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile

  • Molecular FormulaC16H14ClNO2
  • Average mass287.741 Da
  • Monoisotopic mass287.071320 Da
  • ChemSpider ID25058821

More details:

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

3-Chlor-4-(2-hydroxy-4-propylphenoxy)benzonitril [German] [ACD/IUPAC Name]
3-Chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile [ACD/IUPAC Name]
3-Chloro-4-(2-hydroxy-4-propylphénoxy)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-chloro-4-(2-hydroxy-4-propylphenoxy)- [ACD/Index Name]
NJ8

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

Density: 1.3±0.1 g/cm3
Boiling Point: 388.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 188.8±27.9 °C
Index of Refraction: 1.617
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1166.83
ACD/KOC (pH 5.5): 5456.42
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1126.35
ACD/KOC (pH 7.4): 5267.11
Polar Surface Area: 53 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 223.0±5.0 cm3

Click to predict properties on the Chemicalize site


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