ChemSpider 2D Image | 4-[4-Hydroxy-3-(hydroxymethyl)phenoxy]benzonitrile | C14H11NO3

4-[4-Hydroxy-3-(hydroxymethyl)phenoxy]benzonitrile

  • Molecular FormulaC14H11NO3
  • Average mass241.242 Da
  • Monoisotopic mass241.073898 Da
  • ChemSpider ID81367391

More details:

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

4-[4-Hydroxy-3-(hydroxymethyl)phenoxy]benzonitril [German] [ACD/IUPAC Name]
4-[4-Hydroxy-3-(hydroxymethyl)phenoxy]benzonitrile [ACD/IUPAC Name]
4-[4-Hydroxy-3-(hydroxyméthyl)phénoxy]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[4-hydroxy-3-(hydroxymethyl)phenoxy]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 460.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 232.2±28.7 °C
Index of Refraction: 1.662
Molar Refractivity: 65.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.52
ACD/KOC (pH 5.5): 373.34
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.42
ACD/KOC (pH 7.4): 371.92
Polar Surface Area: 73 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 176.9±5.0 cm3

Click to predict properties on the Chemicalize site


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