ChemSpider 2D Image | 1,2-Octanedithiol | C8H18S2

1,2-Octanedithiol

  • Molecular FormulaC8H18S2
  • Average mass178.359 Da
  • Monoisotopic mass178.084991 Da
  • ChemSpider ID13273457

More details:

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

1,2-Octandithiol [German] [ACD/IUPAC Name]
1,2-Octanedithiol [ACD/Index Name] [ACD/IUPAC Name]
1,2-Octanedithiol [French] [ACD/IUPAC Name]
26073-82-5 [RN]
"OCTANE-1,2-DITHIOL"
MFCD16038732
octane-1,2-dithiol

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

Density: 0.9±0.1 g/cm3
Boiling Point: 255.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.3±3.0 kJ/mol
Flash Point: 101.1±15.1 °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: 4.31
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 940.79
ACD/KOC (pH 5.5): 4677.51
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 934.15
ACD/KOC (pH 7.4): 4644.51
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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