ChemSpider 2D Image | 1-ethynyl-2-methanesulfonylbenzene | C9H8O2S

1-ethynyl-2-methanesulfonylbenzene

  • Molecular FormulaC9H8O2S
  • Average mass180.224 Da
  • Monoisotopic mass180.024506 Da
  • ChemSpider ID29363907

More details:

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

1019928-25-6 [RN]
1-Ethinyl-2-(methylsulfonyl)benzol [German] [ACD/IUPAC Name]
1-Ethynyl-2-(methylsulfonyl)benzene [ACD/IUPAC Name]
1-Éthynyl-2-(méthylsulfonyl)benzène [French] [ACD/IUPAC Name]
1-ethynyl-2-methanesulfonylbenzene
Benzene, 1-ethynyl-2-(methylsulfonyl)- [ACD/Index Name]
1-ethynyl-2-methylsulfonylbenzene
MFCD20037596
'MFCD20037596

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 347.7±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.9±3.0 kJ/mol
    Flash Point: 208.6±18.3 °C
    Index of Refraction: 1.571
    Molar Refractivity: 47.3±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.68
    ACD/LogD (pH 5.5): 0.79
    ACD/BCF (pH 5.5): 2.34
    ACD/KOC (pH 5.5): 64.01
    ACD/LogD (pH 7.4): 0.79
    ACD/BCF (pH 7.4): 2.34
    ACD/KOC (pH 7.4): 64.01
    Polar Surface Area: 43 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 49.4±5.0 dyne/cm
    Molar Volume: 143.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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