ChemSpider 2D Image | 2-(Methylsulfonyl)cyclohexanone | C7H12O3S

2-(Methylsulfonyl)cyclohexanone

  • Molecular FormulaC7H12O3S
  • Average mass176.233 Da
  • Monoisotopic mass176.050720 Da
  • ChemSpider ID25993272

More details:

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

2-(Methylsulfonyl)cyclohexanon [German] [ACD/IUPAC Name]
2-(Methylsulfonyl)cyclohexanone [ACD/IUPAC Name]
2-(Méthylsulfonyl)cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 2-(methylsulfonyl)- [ACD/Index Name]
16096-71-2 [RN]
2-methanesulfonylcyclohexan-1-one
MFCD15209655 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 377.5±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 241.9±17.5 °C
Index of Refraction: 1.488
Molar Refractivity: 41.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.61
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.61
Polar Surface Area: 60 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 143.5±5.0 cm3

Click to predict properties on the Chemicalize site


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