ChemSpider 2D Image | 2-Cyano-2-methylpropyl 4-methylbenzenesulfonate | C12H15NO3S

2-Cyano-2-methylpropyl 4-methylbenzenesulfonate

  • Molecular FormulaC12H15NO3S
  • Average mass253.317 Da
  • Monoisotopic mass253.077271 Da
  • ChemSpider ID21800455

More details:

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

157736-55-5 [RN]
2,2-dimethyl-3-[(4-methylbenzenesulfonyl)oxy]propanenitrile
2-Cyan-2-methylpropyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
2-Cyano-2-methylpropyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de 2-cyano-2-méthylpropyle [French] [ACD/IUPAC Name]
Propanenitrile, 2,2-dimethyl-3-[[(4-methylphenyl)sulfonyl]oxy]- [ACD/Index Name]
(2-cyano-2-methylpropyl) 4-methylbenzenesulfonate
[157736-55-5] [RN]
2-CHLOROPHENYL CYCLOPENTYL METHANONE
2-Cyano-2-methylpropyl 4-methylbenzene-1-sulfonate
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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: 413.7±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.7±3.0 kJ/mol
    Flash Point: 204.0±24.0 °C
    Index of Refraction: 1.522
    Molar Refractivity: 65.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.64
    ACD/LogD (pH 5.5): 2.36
    ACD/BCF (pH 5.5): 36.38
    ACD/KOC (pH 5.5): 455.96
    ACD/LogD (pH 7.4): 2.36
    ACD/BCF (pH 7.4): 36.38
    ACD/KOC (pH 7.4): 455.96
    Polar Surface Area: 76 Å2
    Polarizability: 25.8±0.5 10-24cm3
    Surface Tension: 43.5±3.0 dyne/cm
    Molar Volume: 213.3±3.0 cm3

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