ChemSpider 2D Image | 2-(Methylsulfonyl)propanenitrile | C4H7NO2S

2-(Methylsulfonyl)propanenitrile

  • Molecular FormulaC4H7NO2S
  • Average mass133.169 Da
  • Monoisotopic mass133.019745 Da
  • ChemSpider ID30083474

More details:

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

2-(Methylsulfonyl)propanenitrile [ACD/IUPAC Name]
2-(Méthylsulfonyl)propanenitrile [French] [ACD/IUPAC Name]
2-(Methylsulfonyl)propannitril [German] [ACD/IUPAC Name]
Propanenitrile, 2-(methylsulfonyl)- [ACD/Index Name]
1249519-31-0 [RN]
2-methanesulfonylpropanenitrile
2-Methanesulfonyl-propionitrile
2-methylsulfonylpropanenitrile
AGN-PC-0E5PX2
AKOS010960247
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 330.5±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.3±3.0 kJ/mol
    Flash Point: 153.7±23.2 °C
    Index of Refraction: 1.448
    Molar Refractivity: 29.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.07
    ACD/LogD (pH 5.5): -0.69
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.09
    ACD/LogD (pH 7.4): -0.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.09
    Polar Surface Area: 66 Å2
    Polarizability: 11.6±0.5 10-24cm3
    Surface Tension: 43.1±3.0 dyne/cm
    Molar Volume: 109.4±3.0 cm3

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