ChemSpider 2D Image | 1-{[2-(Methylsulfonyl)ethyl]sulfonyl}-2-butanone | C7H14O5S2

1-{[2-(Methylsulfonyl)ethyl]sulfonyl}-2-butanone

  • Molecular FormulaC7H14O5S2
  • Average mass242.313 Da
  • Monoisotopic mass242.028259 Da
  • ChemSpider ID45180483

More details:

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

1-{[2-(Methylsulfonyl)ethyl]sulfonyl}-2-butanon [German] [ACD/IUPAC Name]
1-{[2-(Methylsulfonyl)ethyl]sulfonyl}-2-butanone [ACD/IUPAC Name]
1-{[2-(Méthylsulfonyl)éthyl]sulfonyl}-2-butanone [French] [ACD/IUPAC Name]
2-Butanone, 1-[[2-(methylsulfonyl)ethyl]sulfonyl]- [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: 515.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 355.7±18.6 °C
Index of Refraction: 1.482
Molar Refractivity: 52.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.81
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.81
Polar Surface Area: 102 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 183.3±3.0 cm3

Click to predict properties on the Chemicalize site


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