ChemSpider 2D Image | 3-Methyl-1-(methylsulfanyl)-3-(methylsulfonyl)-2-butanone | C7H14O3S2

3-Methyl-1-(methylsulfanyl)-3-(methylsulfonyl)-2-butanone

  • Molecular FormulaC7H14O3S2
  • Average mass210.314 Da
  • Monoisotopic mass210.038437 Da
  • ChemSpider ID44330789

More details:

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

2-Butanone, 3-methyl-3-(methylsulfonyl)-1-(methylthio)- [ACD/Index Name]
3-Methyl-1-(methylsulfanyl)-3-(methylsulfonyl)-2-butanon [German] [ACD/IUPAC Name]
3-Methyl-1-(methylsulfanyl)-3-(methylsulfonyl)-2-butanone [ACD/IUPAC Name]
3-Méthyl-1-(méthylsulfanyl)-3-(méthylsulfonyl)-2-butanone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 352.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 167.0±23.7 °C
Index of Refraction: 1.495
Molar Refractivity: 51.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 59.28
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.10
ACD/KOC (pH 7.4): 59.28
Polar Surface Area: 85 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 176.3±3.0 cm3

Click to predict properties on the Chemicalize site


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