ChemSpider 2D Image | 3-(4-Ethynylphenyl)thiophene | C12H8S

3-(4-Ethynylphenyl)thiophene

  • Molecular FormulaC12H8S
  • Average mass184.257 Da
  • Monoisotopic mass184.034668 Da
  • ChemSpider ID58226884

More details:

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

3-(4-Ethinylphenyl)thiophen [German] [ACD/IUPAC Name]
3-(4-Ethynylphenyl)thiophene [ACD/IUPAC Name]
3-(4-Éthynylphényl)thiophène [French] [ACD/IUPAC Name]
Thiophene, 3-(4-ethynylphenyl)- [ACD/Index Name]
2098084-97-8 [RN]
MFCD30484434

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 261.3±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.9±3.0 kJ/mol
    Flash Point: 81.1±8.8 °C
    Index of Refraction: 1.637
    Molar Refractivity: 56.7±0.4 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.84
    ACD/LogD (pH 5.5): 3.79
    ACD/BCF (pH 5.5): 448.21
    ACD/KOC (pH 5.5): 2751.29
    ACD/LogD (pH 7.4): 3.79
    ACD/BCF (pH 7.4): 448.21
    ACD/KOC (pH 7.4): 2751.29
    Polar Surface Area: 28 Å2
    Polarizability: 22.5±0.5 10-24cm3
    Surface Tension: 50.1±5.0 dyne/cm
    Molar Volume: 157.9±5.0 cm3

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