ChemSpider 2D Image | 6-Ethynylnicotinonitrile | C8H4N2

6-Ethynylnicotinonitrile

  • Molecular FormulaC8H4N2
  • Average mass128.131 Da
  • Monoisotopic mass128.037445 Da
  • ChemSpider ID29305126

More details:

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

1211588-35-0 [RN]
3-Pyridinecarbonitrile, 6-ethynyl- [ACD/Index Name]
6-Ethinylnicotinonitril [German] [ACD/IUPAC Name]
6-Ethynylnicotinonitrile [ACD/IUPAC Name]
6-Éthynylnicotinonitrile [French] [ACD/IUPAC Name]
2-Ethynylpyridine-5-carbonitrile
6-ethynylpyridine-3-carbonitrile
atoms 10 bonds 10
F2167-2835
F-5026
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 249.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.7±3.0 kJ/mol
    Flash Point: 96.9±8.3 °C
    Index of Refraction: 1.569
    Molar Refractivity: 36.2±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.69
    ACD/LogD (pH 5.5): 0.85
    ACD/BCF (pH 5.5): 2.59
    ACD/KOC (pH 5.5): 68.70
    ACD/LogD (pH 7.4): 0.85
    ACD/BCF (pH 7.4): 2.59
    ACD/KOC (pH 7.4): 68.70
    Polar Surface Area: 37 Å2
    Polarizability: 14.3±0.5 10-24cm3
    Surface Tension: 59.2±5.0 dyne/cm
    Molar Volume: 110.5±5.0 cm3

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