ChemSpider 2D Image | 2-(2,5-Dimethylbenzyl)-5-methylbenzenesulfinic acid | C16H18O2S

2-(2,5-Dimethylbenzyl)-5-methylbenzenesulfinic acid

  • Molecular FormulaC16H18O2S
  • Average mass274.378 Da
  • Monoisotopic mass274.102753 Da
  • ChemSpider ID21836516

More details:

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

2-(2,5-Dimethylbenzyl)-5-methylbenzenesulfinic acid [ACD/IUPAC Name]
2-(2,5-Dimethylbenzyl)-5-methylbenzolsulfinsäure [German] [ACD/IUPAC Name]
Acide 2-(2,5-diméthylbenzyl)-5-méthylbenzènesulfinique [French] [ACD/IUPAC Name]
Benzenesulfinic acid, 2-[(2,5-dimethylphenyl)methyl]-5-methyl- [ACD/Index Name]
2-(2,5-Dimethyl-benzyl)-5-methyl-benzenesulfinic acid
2-[(2,5-dimethylphenyl)methyl]-5-methylbenzenesulfinic acid
24056-27-7 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 483.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.9±3.0 kJ/mol
    Flash Point: 246.2±31.5 °C
    Index of Refraction: 1.644
    Molar Refractivity: 80.4±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.66
    ACD/LogD (pH 5.5): 0.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 57 Å2
    Polarizability: 31.9±0.5 10-24cm3
    Surface Tension: 61.0±5.0 dyne/cm
    Molar Volume: 222.0±5.0 cm3

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