ChemSpider 2D Image | (1-Cyanocyclobutyl)methyl 4-methylbenzenesulfonate | C13H15NO3S

(1-Cyanocyclobutyl)methyl 4-methylbenzenesulfonate

  • Molecular FormulaC13H15NO3S
  • Average mass265.328 Da
  • Monoisotopic mass265.077271 Da
  • ChemSpider ID29784364

More details:

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

(1-Cyancyclobutyl)methyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
(1-Cyanocyclobutyl)methyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de (1-cyanocyclobutyl)méthyle [French] [ACD/IUPAC Name]
Cyclobutanecarbonitrile, 1-[[[(4-methylphenyl)sulfonyl]oxy]methyl]- [ACD/Index Name]
(1-cyanocyclobutyl)methyl 4-methylbenzene-1-sulfonate
1523618-15-6 [RN]
AK170938
Chemistry 13983
MFCD26130531 [MDL number]
Toluene-4-sulfonic acid 1-cyano-cyclobutylmethyl ester
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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: 443.4±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.1±3.0 kJ/mol
    Flash Point: 222.0±21.2 °C
    Index of Refraction: 1.571
    Molar Refractivity: 67.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.51
    ACD/LogD (pH 5.5): 2.13
    ACD/BCF (pH 5.5): 24.34
    ACD/KOC (pH 5.5): 341.89
    ACD/LogD (pH 7.4): 2.13
    ACD/BCF (pH 7.4): 24.34
    ACD/KOC (pH 7.4): 341.89
    Polar Surface Area: 76 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 54.1±5.0 dyne/cm
    Molar Volume: 205.9±5.0 cm3

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