ChemSpider 2D Image | 4-methanesulfonyloxane-4-carbonitrile | C7H11NO3S

4-methanesulfonyloxane-4-carbonitrile

  • Molecular FormulaC7H11NO3S
  • Average mass189.232 Da
  • Monoisotopic mass189.045959 Da
  • ChemSpider ID30803571

More details:

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

1247418-40-1 [RN]
2H-Pyran-4-carbonitrile, tetrahydro-4-(methylsulfonyl)- [ACD/Index Name]
4-(Methylsulfonyl)tetrahydro-2H-pyran-4-carbonitril [German] [ACD/IUPAC Name]
4-(Methylsulfonyl)tetrahydro-2H-pyran-4-carbonitrile [ACD/IUPAC Name]
4-(Méthylsulfonyl)tétrahydro-2H-pyrane-4-carbonitrile [French] [ACD/IUPAC Name]
4-methanesulfonyloxane-4-carbonitrile
4-(methylsulfonyl)-tetrahydro-2H-pyran-4-carbonitrile
4-Methanesulfonyl-tetrahydro-pyran-4-carbonitrile
4-methylsulfonyloxane-4-carbonitrile
MFCD16766453

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 437.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.4±3.0 kJ/mol
    Flash Point: 218.3±28.7 °C
    Index of Refraction: 1.498
    Molar Refractivity: 42.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.13
    ACD/LogD (pH 5.5): -0.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 15.04
    ACD/LogD (pH 7.4): -0.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 15.04
    Polar Surface Area: 76 Å2
    Polarizability: 17.0±0.5 10-24cm3
    Surface Tension: 48.6±5.0 dyne/cm
    Molar Volume: 146.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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