ChemSpider 2D Image | 4-(Ethylsulfanyl)-3,3-dimethyl-4-penten-2-one | C9H16OS

4-(Ethylsulfanyl)-3,3-dimethyl-4-penten-2-one

  • Molecular FormulaC9H16OS
  • Average mass172.288 Da
  • Monoisotopic mass172.092178 Da
  • ChemSpider ID35790752

More details:






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

4-(Ethylsulfanyl)-3,3-dimethyl-4-penten-2-on [German] [ACD/IUPAC Name]
4-(Ethylsulfanyl)-3,3-dimethyl-4-penten-2-one [ACD/IUPAC Name]
4-(Éthylsulfanyl)-3,3-diméthyl-4-pentén-2-one [French] [ACD/IUPAC Name]
4-Penten-2-one, 4-(ethylthio)-3,3-dimethyl- [ACD/Index Name]
4-(Ethylsulfanyl)-3,3-dimethylpent-4-en-2-one
62234-50-8 [RN]
MFCD24702486

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 252.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.0±3.0 kJ/mol
Flash Point: 107.0±8.3 °C
Index of Refraction: 1.472
Molar Refractivity: 51.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.71
ACD/KOC (pH 5.5): 869.90
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.71
ACD/KOC (pH 7.4): 869.90
Polar Surface Area: 42 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 29.3±3.0 dyne/cm
Molar Volume: 183.1±3.0 cm3

Click to predict properties on the Chemicalize site






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