ChemSpider 2D Image | 4-(4-Ethynylphenyl)pyridine | C13H9N

4-(4-Ethynylphenyl)pyridine

  • Molecular FormulaC13H9N
  • Average mass179.217 Da
  • Monoisotopic mass179.073502 Da
  • ChemSpider ID29545279

More details:

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

4-(4-Ethinylphenyl)pyridin [German] [ACD/IUPAC Name]
4-(4-Ethynylphenyl)pyridine [ACD/IUPAC Name]
4-(4-Éthynylphényl)pyridine [French] [ACD/IUPAC Name]
Pyridine, 4-(4-ethynylphenyl)- [ACD/Index Name]
83420-57-9 [RN]
MFCD30484439

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 296.9±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.5±3.0 kJ/mol
    Flash Point: 124.5±15.2 °C
    Index of Refraction: 1.618
    Molar Refractivity: 56.3±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 2.51
    ACD/BCF (pH 5.5): 42.76
    ACD/KOC (pH 5.5): 451.59
    ACD/LogD (pH 7.4): 2.70
    ACD/BCF (pH 7.4): 65.97
    ACD/KOC (pH 7.4): 696.66
    Polar Surface Area: 13 Å2
    Polarizability: 22.3±0.5 10-24cm3
    Surface Tension: 51.6±5.0 dyne/cm
    Molar Volume: 160.7±5.0 cm3

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