ChemSpider 2D Image | 2,2-Dimethyl-6-[3-(phenylsulfonyl)propyl]cyclohexanone | C17H24O3S

2,2-Dimethyl-6-[3-(phenylsulfonyl)propyl]cyclohexanone

  • Molecular FormulaC17H24O3S
  • Average mass308.436 Da
  • Monoisotopic mass308.144623 Da
  • ChemSpider ID28699959

More details:

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

2,2-Dimethyl-6-[3-(phenylsulfonyl)propyl]cyclohexanon [German] [ACD/IUPAC Name]
2,2-Dimethyl-6-[3-(phenylsulfonyl)propyl]cyclohexanone [ACD/IUPAC Name]
2,2-Diméthyl-6-[3-(phénylsulfonyl)propyl]cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 2,2-dimethyl-6-[3-(phenylsulfonyl)propyl]- [ACD/Index Name]
2,2-Dimethyl-6-(3-(phenylsulfonyl)propyl)cyclohexanone
6-[3-(Benzenesulfonyl)propyl]-2,2-dimethylcyclohexan-1-one
89328-79-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 469.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 280.4±16.4 °C
Index of Refraction: 1.512
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.67
ACD/KOC (pH 5.5): 740.72
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.67
ACD/KOC (pH 7.4): 740.72
Polar Surface Area: 60 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 281.6±3.0 cm3

Click to predict properties on the Chemicalize site


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