ChemSpider 2D Image | 4-[(E)-2-(1-Pyrenyl)vinyl]benzonitrile | C25H15N

4-[(E)-2-(1-Pyrenyl)vinyl]benzonitrile

  • Molecular FormulaC25H15N
  • Average mass329.393 Da
  • Monoisotopic mass329.120453 Da
  • ChemSpider ID30658520

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(E)-2-(1-Pyrenyl)vinyl]benzonitril [German] [ACD/IUPAC Name]
4-[(E)-2-(1-Pyrenyl)vinyl]benzonitrile [ACD/IUPAC Name]
4-[(E)-2-(1-Pyrényl)vinyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[(E)-2-(1-pyrenyl)ethenyl]- [ACD/Index Name]
149849-38-7 [RN]
4-[2-(Pyren-1-yl)ethenyl]benzonitrile
BENZONITRILE, 4-[(1E)-2-(1-PYRENYL)ETHENYL]-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 570.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 301.4±17.1 °C
Index of Refraction: 1.790
Molar Refractivity: 110.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 84806.50
ACD/KOC (pH 5.5): 117313.85
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 84806.50
ACD/KOC (pH 7.4): 117313.85
Polar Surface Area: 24 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 260.0±5.0 cm3

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