ChemSpider 2D Image | 2,2,4,4-Tetramethyl-3-(methylsulfanyl)cyclobutanone | C9H16OS

2,2,4,4-Tetramethyl-3-(methylsulfanyl)cyclobutanone

  • Molecular FormulaC9H16OS
  • Average mass172.288 Da
  • Monoisotopic mass172.092178 Da
  • ChemSpider ID35777232

More details:

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

2,2,4,4-Tetramethyl-3-(methylsulfanyl)cyclobutanon [German] [ACD/IUPAC Name]
2,2,4,4-Tetramethyl-3-(methylsulfanyl)cyclobutanone [ACD/IUPAC Name]
2,2,4,4-Tétraméthyl-3-(méthylsulfanyl)cyclobutanone [French] [ACD/IUPAC Name]
Cyclobutanone, 2,2,4,4-tetramethyl-3-(methylthio)- [ACD/Index Name]
2,2,4,4-Tetramethyl-3-(methylsulfanyl)cyclobutan-1-one
62234-65-5 [RN]
MFCD24692322

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

Density: 1.0±0.1 g/cm3
Boiling Point: 226.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.3±3.0 kJ/mol
Flash Point: 87.3±11.1 °C
Index of Refraction: 1.493
Molar Refractivity: 49.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 40.21
ACD/KOC (pH 5.5): 489.78
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 40.21
ACD/KOC (pH 7.4): 489.78
Polar Surface Area: 42 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 32.4±5.0 dyne/cm
Molar Volume: 171.4±5.0 cm3

Click to predict properties on the Chemicalize site


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