ChemSpider 2D Image | [4-(2-Naphthylethynyl)phenyl](oxo)acetonitrile | C20H11NO

[4-(2-Naphthylethynyl)phenyl](oxo)acetonitrile

  • Molecular FormulaC20H11NO
  • Average mass281.307 Da
  • Monoisotopic mass281.084076 Da
  • ChemSpider ID87031964

More details:

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

[4-(2-Naphthylethinyl)phenyl](oxo)acetonitril [German] [ACD/IUPAC Name]
[4-(2-Naphthylethynyl)phenyl](oxo)acetonitrile [ACD/IUPAC Name]
[4-(2-Naphtyléthynyl)phényl](oxo)acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 4-[2-(2-naphthalenyl)ethynyl]-α-oxo- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 481.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 244.9±24.0 °C
Index of Refraction: 1.694
Molar Refractivity: 85.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1530.66
ACD/KOC (pH 5.5): 6627.27
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1530.66
ACD/KOC (pH 7.4): 6627.27
Polar Surface Area: 41 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 223.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement