ChemSpider 2D Image | 4-[(2-Formylphenyl)ethynyl]benzonitrile | C16H9NO

4-[(2-Formylphenyl)ethynyl]benzonitrile

  • Molecular FormulaC16H9NO
  • Average mass231.249 Da
  • Monoisotopic mass231.068420 Da
  • ChemSpider ID57600504

More details:

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

4-[(2-Formylphenyl)ethinyl]benzonitril [German] [ACD/IUPAC Name]
4-[(2-Formylphenyl)ethynyl]benzonitrile [ACD/IUPAC Name]
4-[(2-Formylphényl)éthynyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[2-(2-formylphenyl)ethynyl]- [ACD/Index Name]
1175696-06-6 [RN]
4-[2-(2-formylphenyl)ethynyl]benzonitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 436.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 217.7±24.6 °C
Index of Refraction: 1.641
Molar Refractivity: 68.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 284.31
ACD/KOC (pH 5.5): 1986.25
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 284.31
ACD/KOC (pH 7.4): 1986.25
Polar Surface Area: 41 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 189.3±5.0 cm3

Click to predict properties on the Chemicalize site


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