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Search term: MF = 'C_{11}H_{20}OS'
ChemSpider 2D Image | 5-(Butylsulfanyl)-5-methyl-1-hexen-3-one | C11H20OS

5-(Butylsulfanyl)-5-methyl-1-hexen-3-one

  • Molecular FormulaC11H20OS
  • Average mass200.341 Da
  • Monoisotopic mass200.123489 Da
  • ChemSpider ID57512601

More details:

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

1-Hexen-3-one, 5-(butylthio)-5-methyl- [ACD/Index Name]
5-(Butylsulfanyl)-5-methyl-1-hexen-3-on [German] [ACD/IUPAC Name]
5-(Butylsulfanyl)-5-methyl-1-hexen-3-one [ACD/IUPAC Name]
5-(Butylsulfanyl)-5-méthyl-1-hexén-3-one [French] [ACD/IUPAC Name]
5-(BUTYLSULFANYL)-5-METHYLHEX-1-EN-3-ONE
67161-29-9 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 281.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.1±3.0 kJ/mol
Flash Point: 121.9±8.3 °C
Index of Refraction: 1.473
Molar Refractivity: 60.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 307.61
ACD/KOC (pH 5.5): 2101.45
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 307.61
ACD/KOC (pH 7.4): 2101.45
Polar Surface Area: 42 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 30.8±3.0 dyne/cm
Molar Volume: 216.3±3.0 cm3

Click to predict properties on the Chemicalize site


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