ChemSpider 2D Image | 1-(Methylsulfonyl)cyclopentanecarbonitrile | C7H11NO2S

1-(Methylsulfonyl)cyclopentanecarbonitrile

  • Molecular FormulaC7H11NO2S
  • Average mass173.233 Da
  • Monoisotopic mass173.051056 Da
  • ChemSpider ID27225285

More details:

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

1-(Methylsulfonyl)cyclopentancarbonitril [German] [ACD/IUPAC Name]
1-(Methylsulfonyl)cyclopentanecarbonitrile [ACD/IUPAC Name]
1-(Méthylsulfonyl)cyclopentanecarbonitrile [French] [ACD/IUPAC Name]
Cyclopentanecarbonitrile, 1-(methylsulfonyl)- [ACD/Index Name]
1249016-54-3 [RN]
1-methanesulfonylcyclopentane-1-carbonitrile
1-methylsulfonylcyclopentane-1-carbonitrile
MFCD16766456

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 396.8±21.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.7±3.0 kJ/mol
    Flash Point: 193.8±22.1 °C
    Index of Refraction: 1.500
    Molar Refractivity: 41.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.56
    ACD/LogD (pH 5.5): 0.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 29.41
    ACD/LogD (pH 7.4): 0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 29.41
    Polar Surface Area: 66 Å2
    Polarizability: 16.3±0.5 10-24cm3
    Surface Tension: 46.7±5.0 dyne/cm
    Molar Volume: 140.0±5.0 cm3

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