ChemSpider 2D Image | 3,5-Dimethylphenyl 4-fluoro-3-methylbenzenesulfonate | C15H15FO3S

3,5-Dimethylphenyl 4-fluoro-3-methylbenzenesulfonate

  • Molecular FormulaC15H15FO3S
  • Average mass294.341 Da
  • Monoisotopic mass294.072601 Da
  • ChemSpider ID21850371

More details:

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

3,5-Dimethylphenyl 4-fluoro-3-methylbenzenesulfonate [ACD/IUPAC Name]
3,5-Dimethylphenyl-4-fluor-3-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Fluoro-3-méthylbenzènesulfonate de 3,5-diméthylphényle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-fluoro-3-methyl-, 3,5-dimethylphenyl ester [ACD/Index Name]
(3,5-dimethylphenyl) 4-fluoro-3-methylbenzenesulfonate
1018131-07-1 [RN]
3,5-dimethylphenyl 4-fluoro-3-methylbenzene-1-sulfonate
AGN-PC-05TJJ0
AKOS008213278
AP-263/43418441
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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: 425.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 65.4±3.0 kJ/mol
    Flash Point: 211.3±28.7 °C
    Index of Refraction: 1.557
    Molar Refractivity: 76.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.75
    ACD/LogD (pH 5.5): 4.06
    ACD/BCF (pH 5.5): 717.54
    ACD/KOC (pH 5.5): 3853.15
    ACD/LogD (pH 7.4): 4.06
    ACD/BCF (pH 7.4): 717.54
    ACD/KOC (pH 7.4): 3853.15
    Polar Surface Area: 52 Å2
    Polarizability: 30.1±0.5 10-24cm3
    Surface Tension: 41.6±3.0 dyne/cm
    Molar Volume: 236.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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