ChemSpider 2D Image | 2-Thiaspiro[3.5]nonan-7-one | C8H12OS

2-Thiaspiro[3.5]nonan-7-one

  • Molecular FormulaC8H12OS
  • Average mass156.245 Da
  • Monoisotopic mass156.060883 Da
  • ChemSpider ID58223433

More details:






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

2-Thiaspiro[3.5]nonan-7-on [German] [ACD/IUPAC Name]
2-Thiaspiro[3.5]nonan-7-one [ACD/Index Name] [ACD/IUPAC Name]
2-Thiaspiro[3.5]nonan-7-one [French] [ACD/Index Name] [ACD/IUPAC Name]
1557247-28-5 [RN]
MFCD30002863

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 285.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.5±3.0 kJ/mol
    Flash Point: 148.7±13.0 °C
    Index of Refraction: 1.552
    Molar Refractivity: 43.1±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.81
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 3.14
    ACD/KOC (pH 5.5): 78.92
    ACD/LogD (pH 7.4): 0.96
    ACD/BCF (pH 7.4): 3.14
    ACD/KOC (pH 7.4): 78.92
    Polar Surface Area: 42 Å2
    Polarizability: 17.1±0.5 10-24cm3
    Surface Tension: 42.7±5.0 dyne/cm
    Molar Volume: 135.0±5.0 cm3

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