ChemSpider 2D Image | 3-[(6-Formyl-2-naphthyl)ethynyl]benzonitrile | C20H11NO

3-[(6-Formyl-2-naphthyl)ethynyl]benzonitrile

  • Molecular FormulaC20H11NO
  • Average mass281.307 Da
  • Monoisotopic mass281.084076 Da
  • ChemSpider ID82126378

More details:

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

3-[(6-Formyl-2-naphthyl)ethinyl]benzonitril [German] [ACD/IUPAC Name]
3-[(6-Formyl-2-naphthyl)ethynyl]benzonitrile [ACD/IUPAC Name]
3-[(6-Formyl-2-naphtyl)éthynyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[2-(6-formyl-2-naphthalenyl)ethynyl]- [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: 515.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 265.7±24.6 °C
Index of Refraction: 1.698
Molar Refractivity: 85.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2177.59
ACD/KOC (pH 5.5): 8529.42
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2177.59
ACD/KOC (pH 7.4): 8529.42
Polar Surface Area: 41 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 222.7±5.0 cm3

Click to predict properties on the Chemicalize site


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