ChemSpider 2D Image | 4-Ethylphenyl 3,4-dimethoxybenzenesulfonate | C16H18O5S

4-Ethylphenyl 3,4-dimethoxybenzenesulfonate

  • Molecular FormulaC16H18O5S
  • Average mass322.376 Da
  • Monoisotopic mass322.087494 Da
  • ChemSpider ID21850433

More details:

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

3,4-Diméthoxybenzènesulfonate de 4-éthylphényle [French] [ACD/IUPAC Name]
4-Ethylphenyl 3,4-dimethoxybenzenesulfonate [ACD/IUPAC Name]
4-Ethylphenyl-3,4-dimethoxybenzolsulfonat [German] [ACD/IUPAC Name]
Benzenesulfonic acid, 3,4-dimethoxy-, 4-ethylphenyl ester [ACD/Index Name]
(4-ethylphenyl) 3,4-dimethoxybenzenesulfonate
1018056-05-7 [RN]
AGN-PC-05TJKI
AP-263/43418495
MCULE-5884144568
MolPort-004-854-578
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 460.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.3±3.0 kJ/mol
    Flash Point: 232.2±28.7 °C
    Index of Refraction: 1.549
    Molar Refractivity: 84.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.83
    ACD/LogD (pH 5.5): 3.74
    ACD/BCF (pH 5.5): 413.33
    ACD/KOC (pH 5.5): 2596.25
    ACD/LogD (pH 7.4): 3.74
    ACD/BCF (pH 7.4): 413.33
    ACD/KOC (pH 7.4): 2596.25
    Polar Surface Area: 70 Å2
    Polarizability: 33.3±0.5 10-24cm3
    Surface Tension: 42.3±3.0 dyne/cm
    Molar Volume: 263.9±3.0 cm3

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