ChemSpider 2D Image | octanedithiol | C8H18S2

octanedithiol

  • Molecular FormulaC8H18S2
  • Average mass178.359 Da
  • Monoisotopic mass178.084991 Da
  • ChemSpider ID11542445

More details:

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

1,1-Octandithiol [German] [ACD/IUPAC Name]
1,1-Octanedithiol [ACD/Index Name] [ACD/IUPAC Name]
1,1-Octanedithiol [French] [ACD/Index Name] [ACD/IUPAC Name]
octanedithiol

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

Density: 0.9±0.1 g/cm3
Boiling Point: 228.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.6±3.0 kJ/mol
Flash Point: 87.8±17.9 °C
Index of Refraction: 1.492
Molar Refractivity: 54.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1634.48
ACD/KOC (pH 5.5): 6945.45
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1599.69
ACD/KOC (pH 7.4): 6797.62
Polar Surface Area: 78 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 189.1±3.0 cm3

Click to predict properties on the Chemicalize site


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