ChemSpider 2D Image | 3,5-Dimethylphenyl 2,5-dimethoxy-4-methylbenzenesulfonate | C17H20O5S

3,5-Dimethylphenyl 2,5-dimethoxy-4-methylbenzenesulfonate

  • Molecular FormulaC17H20O5S
  • Average mass336.403 Da
  • Monoisotopic mass336.103149 Da
  • ChemSpider ID21850376

More details:

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

2,5-Diméthoxy-4-méthylbenzènesulfonate de 3,5-diméthylphényle [French] [ACD/IUPAC Name]
3,5-Dimethylphenyl 2,5-dimethoxy-4-methylbenzenesulfonate [ACD/IUPAC Name]
3,5-Dimethylphenyl-2,5-dimethoxy-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
Benzenesulfonic acid, 2,5-dimethoxy-4-methyl-, 3,5-dimethylphenyl ester [ACD/Index Name]
(3,5-dimethylphenyl) 2,5-dimethoxy-4-methylbenzenesulfonate
1018137-87-5 [RN]
3,5-dimethylphenyl 2,5-dimethoxy-4-methylbenzene-1-sulfonate
AGN-PC-05TJJ5
AP-263/43418445
MCULE-3888166757
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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: 500.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.0±3.0 kJ/mol
    Flash Point: 256.3±30.1 °C
    Index of Refraction: 1.546
    Molar Refractivity: 88.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.76
    ACD/LogD (pH 5.5): 4.33
    ACD/BCF (pH 5.5): 1142.02
    ACD/KOC (pH 5.5): 5373.82
    ACD/LogD (pH 7.4): 4.33
    ACD/BCF (pH 7.4): 1142.02
    ACD/KOC (pH 7.4): 5373.82
    Polar Surface Area: 70 Å2
    Polarizability: 35.1±0.5 10-24cm3
    Surface Tension: 41.3±3.0 dyne/cm
    Molar Volume: 279.9±3.0 cm3

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