ChemSpider 2D Image | 1-(Isobutylsulfanyl)heptane | C11H24S

1-(Isobutylsulfanyl)heptane

  • Molecular FormulaC11H24S
  • Average mass188.373 Da
  • Monoisotopic mass188.159866 Da
  • ChemSpider ID69813761

More details:

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

1-(Isobutylsulfanyl)heptan [German] [ACD/IUPAC Name]
1-(Isobutylsulfanyl)heptane [ACD/IUPAC Name]
1-(Isobutylsulfanyl)heptane [French] [ACD/IUPAC Name]
Heptane, 1-[(2-methylpropyl)thio]- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 240.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.8±3.0 kJ/mol
Flash Point: 99.2±10.8 °C
Index of Refraction: 1.456
Molar Refractivity: 61.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10319.38
ACD/KOC (pH 5.5): 25975.43
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10319.38
ACD/KOC (pH 7.4): 25975.43
Polar Surface Area: 25 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 28.3±3.0 dyne/cm
Molar Volume: 224.5±3.0 cm3

Click to predict properties on the Chemicalize site


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