ChemSpider 2D Image | 1-(2-Methyl-2-butanyl)-4-(methylsulfanyl)cyclohexane | C12H24S

1-(2-Methyl-2-butanyl)-4-(methylsulfanyl)cyclohexane

  • Molecular FormulaC12H24S
  • Average mass200.384 Da
  • Monoisotopic mass200.159866 Da
  • ChemSpider ID97046682

More details:

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

1-(2-Methyl-2-butanyl)-4-(methylsulfanyl)cyclohexan [German] [ACD/IUPAC Name]
1-(2-Methyl-2-butanyl)-4-(methylsulfanyl)cyclohexane [ACD/IUPAC Name]
1-(2-Méthyl-2-butanyl)-4-(méthylsulfanyl)cyclohexane [French] [ACD/IUPAC Name]
Cyclohexane, 1-(1,1-dimethylpropyl)-4-(methylthio)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 262.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.0±3.0 kJ/mol
Flash Point: 100.5±15.4 °C
Index of Refraction: 1.480
Molar Refractivity: 63.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4607.78
ACD/KOC (pH 5.5): 14585.47
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4607.78
ACD/KOC (pH 7.4): 14585.47
Polar Surface Area: 25 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 30.5±5.0 dyne/cm
Molar Volume: 223.8±5.0 cm3

Click to predict properties on the Chemicalize site


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