ChemSpider 2D Image | Butyl isobutyl sulfide | C16H34S

Butyl isobutyl sulfide

  • Molecular FormulaC16H34S
  • Average mass258.506 Da
  • Monoisotopic mass258.238129 Da
  • ChemSpider ID34998477

More details:

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

1741-85-1 [RN]
2-Methyl-3-[(2-methyl-3-heptanyl)sulfanyl]heptan [German] [ACD/IUPAC Name]
2-Methyl-3-[(2-methyl-3-heptanyl)sulfanyl]heptane [ACD/IUPAC Name]
2-Méthyl-3-[(2-méthyl-3-heptanyl)sulfanyl]heptane [French] [ACD/IUPAC Name]
Butyl isobutyl sulfide
Heptane, 3,3'-thiobis[2-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: 307.0±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.6±3.0 kJ/mol
Flash Point: 139.6±11.3 °C
Index of Refraction: 1.458
Molar Refractivity: 84.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 213732.33
ACD/KOC (pH 5.5): 227350.86
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 213732.33
ACD/KOC (pH 7.4): 227350.86
Polar Surface Area: 25 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 28.0±3.0 dyne/cm
Molar Volume: 308.1±3.0 cm3

Click to predict properties on the Chemicalize site


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