ChemSpider 2D Image | 2-[(3,5-Diethynylphenyl)ethynyl]benzonitrile | C19H9N

2-[(3,5-Diethynylphenyl)ethynyl]benzonitrile

  • Molecular FormulaC19H9N
  • Average mass251.281 Da
  • Monoisotopic mass251.073502 Da
  • ChemSpider ID83493156

More details:

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

2-[(3,5-Diethinylphenyl)ethinyl]benzonitril [German] [ACD/IUPAC Name]
2-[(3,5-Diethynylphenyl)ethynyl]benzonitrile [ACD/IUPAC Name]
2-[(3,5-Diéthynylphényl)éthynyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[2-(3,5-diethynylphenyl)ethynyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 469.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 239.7±21.2 °C
Index of Refraction: 1.657
Molar Refractivity: 77.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 926.86
ACD/KOC (pH 5.5): 4627.97
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 926.86
ACD/KOC (pH 7.4): 4627.97
Polar Surface Area: 24 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 210.4±5.0 cm3

Click to predict properties on the Chemicalize site


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