ChemSpider 2D Image | 1-(Methylsulfonyl)cyclobutanecarbonitrile | C6H9NO2S

1-(Methylsulfonyl)cyclobutanecarbonitrile

  • Molecular FormulaC6H9NO2S
  • Average mass159.206 Da
  • Monoisotopic mass159.035400 Da
  • ChemSpider ID27194484

More details:

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

1-(Methylsulfonyl)cyclobutancarbonitril [German] [ACD/IUPAC Name]
1-(Methylsulfonyl)cyclobutanecarbonitrile [ACD/IUPAC Name]
1-(Méthylsulfonyl)cyclobutanecarbonitrile [French] [ACD/IUPAC Name]
Cyclobutanecarbonitrile, 1-(methylsulfonyl)- [ACD/Index Name]
1248918-52-6 [RN]
1-methanesulfonylcyclobutane-1-carbonitrile
1-methanesulfonylcyclobutanecarbonitrile
1-Methanesulfonyl-cyclobutanecarbonitrile
1-methylsulfonylcyclobutane-1-carbonitrile
AGN-PC-0EMDJ8
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 392.8±21.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.3±3.0 kJ/mol
    Flash Point: 191.4±22.1 °C
    Index of Refraction: 1.504
    Molar Refractivity: 36.5±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.12
    ACD/LogD (pH 5.5): 0.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 25.13
    ACD/LogD (pH 7.4): 0.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 25.13
    Polar Surface Area: 66 Å2
    Polarizability: 14.5±0.5 10-24cm3
    Surface Tension: 48.5±5.0 dyne/cm
    Molar Volume: 123.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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