ChemSpider 2D Image | 3-{[(2,2-Dimethylpropyl)sulfanyl]methyl}heptane | C13H28S

3-{[(2,2-Dimethylpropyl)sulfanyl]methyl}heptane

  • Molecular FormulaC13H28S
  • Average mass216.426 Da
  • Monoisotopic mass216.191177 Da
  • ChemSpider ID69882193

More details:

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

3-{[(2,2-Dimethylpropyl)sulfanyl]methyl}heptan [German] [ACD/IUPAC Name]
3-{[(2,2-Dimethylpropyl)sulfanyl]methyl}heptane [ACD/IUPAC Name]
3-{[(2,2-Diméthylpropyl)sulfanyl]méthyl}heptane [French] [ACD/IUPAC Name]
Heptane, 3-[[(2,2-dimethylpropyl)thio]methyl]- [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: 259.9±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.8±3.0 kJ/mol
Flash Point: 107.0±10.8 °C
Index of Refraction: 1.457
Molar Refractivity: 70.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 25894.87
ACD/KOC (pH 5.5): 50183.79
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 25894.87
ACD/KOC (pH 7.4): 50183.79
Polar Surface Area: 25 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 28.0±3.0 dyne/cm
Molar Volume: 257.5±3.0 cm3

Click to predict properties on the Chemicalize site


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