ChemSpider 2D Image | 3,3-Diphenyl-4,5,6,7,8,9-hexahydro-3H-cycloocta[c][1,2]dithiole | C21H22S2

3,3-Diphenyl-4,5,6,7,8,9-hexahydro-3H-cycloocta[c][1,2]dithiole

  • Molecular FormulaC21H22S2
  • Average mass338.529 Da
  • Monoisotopic mass338.116302 Da
  • ChemSpider ID74137989

More details:

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

3,3-Diphenyl-4,5,6,7,8,9-hexahydro-3H-cycloocta[c][1,2]dithiol [German] [ACD/IUPAC Name]
3,3-Diphenyl-4,5,6,7,8,9-hexahydro-3H-cycloocta[c][1,2]dithiole [ACD/IUPAC Name]
3,3-Diphényl-4,5,6,7,8,9-hexahydro-3H-cycloocta[c][1,2]dithiole [French] [ACD/IUPAC Name]
3H-Cycloocta[c]-1,2-dithiole, 4,5,6,7,8,9-hexahydro-3,3-diphenyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 479.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 270.1±30.2 °C
Index of Refraction: 1.666
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 6.59
ACD/BCF (pH 5.5): 59709.63
ACD/KOC (pH 5.5): 91258.69
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 59709.63
ACD/KOC (pH 7.4): 91258.69
Polar Surface Area: 51 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 281.1±5.0 cm3

Click to predict properties on the Chemicalize site


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