ChemSpider 2D Image | Methyl 2-methyl-4-(methylsulfonyl)benzoate | C10H12O4S

Methyl 2-methyl-4-(methylsulfonyl)benzoate

  • Molecular FormulaC10H12O4S
  • Average mass228.265 Da
  • Monoisotopic mass228.045624 Da
  • ChemSpider ID24605610

More details:

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

2-Méthyl-4-(méthylsulfonyl)benzoate de méthyle [French] [ACD/IUPAC Name]
875895-64-0 [RN]
Benzoic acid, 2-methyl-4-(methylsulfonyl)-, methyl ester [ACD/Index Name]
Methyl 2-methyl-4-(methylsulfonyl)benzoate [ACD/IUPAC Name]
Methyl-2-methyl-4-(methylsulfonyl)benzoat [German] [ACD/IUPAC Name]
[875895-64-0] [RN]
24686-78-0 [RN]
2-methyl-4-(methylsulfonyl)Benzoic acid methyl ester
methyl 2-methyl-4-methylsulfonylbenzoate
Methyl 4-(methanesulfonyl)-2-methylbenzoate
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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: 387.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 188.3±27.9 °C
    Index of Refraction: 1.515
    Molar Refractivity: 55.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): 1.24
    ACD/BCF (pH 5.5): 5.13
    ACD/KOC (pH 5.5): 112.13
    ACD/LogD (pH 7.4): 1.24
    ACD/BCF (pH 7.4): 5.13
    ACD/KOC (pH 7.4): 112.13
    Polar Surface Area: 69 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 39.7±3.0 dyne/cm
    Molar Volume: 185.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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