ChemSpider 2D Image | 3-Ethoxy-4-{[(4-methylphenyl)sulfonyl]oxy}benzoic acid | C16H16O6S

3-Ethoxy-4-{[(4-methylphenyl)sulfonyl]oxy}benzoic acid

  • Molecular FormulaC16H16O6S
  • Average mass336.360 Da
  • Monoisotopic mass336.066772 Da
  • ChemSpider ID35000274

More details:

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

3-Ethoxy-4-{[(4-methylphenyl)sulfonyl]oxy}benzoesäure [German] [ACD/IUPAC Name]
3-Ethoxy-4-{[(4-methylphenyl)sulfonyl]oxy}benzoic acid [ACD/IUPAC Name]
Acide 3-éthoxy-4-{[(4-méthylphényl)sulfonyl]oxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-ethoxy-4-[[(4-methylphenyl)sulfonyl]oxy]- [ACD/Index Name]
1993016-94-6 [RN]
3-Ethoxy-4-(4-methylphenyl)sulfonyloxybenzoic acid
3-Ethoxy-4-(toluene-4-sulfonyloxy)-benzoic acid
3-ETHOXY-4-[(4-METHYLBENZENESULFONYL)OXY]BENZOIC ACID
MFCD29036239
VS-13143

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 535.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.4±3.0 kJ/mol
    Flash Point: 277.6±30.1 °C
    Index of Refraction: 1.579
    Molar Refractivity: 83.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.75
    ACD/LogD (pH 5.5): 1.86
    ACD/BCF (pH 5.5): 6.36
    ACD/KOC (pH 5.5): 45.99
    ACD/LogD (pH 7.4): 0.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.86
    Polar Surface Area: 98 Å2
    Polarizability: 33.3±0.5 10-24cm3
    Surface Tension: 51.1±3.0 dyne/cm
    Molar Volume: 252.4±3.0 cm3

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