ChemSpider 2D Image | 1,3-Dimethyl-5-({[2-(methylsulfonyl)ethyl]sulfonyl}methyl)benzene | C12H18O4S2

1,3-Dimethyl-5-({[2-(methylsulfonyl)ethyl]sulfonyl}methyl)benzene

  • Molecular FormulaC12H18O4S2
  • Average mass290.399 Da
  • Monoisotopic mass290.064636 Da
  • ChemSpider ID30154581

More details:

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

1,3-Dimethyl-5-({[2-(methylsulfonyl)ethyl]sulfonyl}methyl)benzene [ACD/IUPAC Name]
1,3-Diméthyl-5-({[2-(méthylsulfonyl)éthyl]sulfonyl}méthyl)benzène [French] [ACD/IUPAC Name]
1,3-Dimethyl-5-({[2-(methylsulfonyl)ethyl]sulfonyl}methyl)benzol [German] [ACD/IUPAC Name]
Benzene, 1,3-dimethyl-5-[[[2-(methylsulfonyl)ethyl]sulfonyl]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 556.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 373.9±22.8 °C
Index of Refraction: 1.540
Molar Refractivity: 72.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.55
ACD/KOC (pH 5.5): 102.99
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.55
ACD/KOC (pH 7.4): 102.99
Polar Surface Area: 85 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 229.9±3.0 cm3

Click to predict properties on the Chemicalize site


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