ChemSpider 2D Image | 1-[1-(Methylsulfanyl)cyclohexyl]ethanone | C9H16OS

1-[1-(Methylsulfanyl)cyclohexyl]ethanone

  • Molecular FormulaC9H16OS
  • Average mass172.288 Da
  • Monoisotopic mass172.092178 Da
  • ChemSpider ID28672355

More details:

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

1-[1-(Methylsulfanyl)cyclohexyl]ethanon [German] [ACD/IUPAC Name]
1-[1-(Methylsulfanyl)cyclohexyl]ethanone [ACD/IUPAC Name]
1-[1-(Méthylsulfanyl)cyclohexyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[1-(methylthio)cyclohexyl]- [ACD/Index Name]
1-[1-(Methylsulfanyl)cyclohexyl]ethan-1-one
112383-63-8 [RN]
MFCD24703220

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

Density: 1.0±0.1 g/cm3
Boiling Point: 257.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.5±3.0 kJ/mol
Flash Point: 113.5±8.3 °C
Index of Refraction: 1.497
Molar Refractivity: 49.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.80
ACD/KOC (pH 5.5): 336.52
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.80
ACD/KOC (pH 7.4): 336.52
Polar Surface Area: 42 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 35.1±5.0 dyne/cm
Molar Volume: 170.4±5.0 cm3

Click to predict properties on the Chemicalize site


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