ChemSpider 2D Image | 3-Thiatricyclo[3.2.1.0~2,4~]oct-6-ene | C7H8S

3-Thiatricyclo[3.2.1.02,4]oct-6-ene

  • Molecular FormulaC7H8S
  • Average mass124.203 Da
  • Monoisotopic mass124.034668 Da
  • ChemSpider ID57571330

More details:

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

3-Thiatricyclo[3.2.1.02,4]oct-6-en [German] [ACD/IUPAC Name]
3-Thiatricyclo[3.2.1.02,4]oct-6-ene [ACD/Index Name] [ACD/IUPAC Name]
3-Thiatricyclo[3.2.1.02,4]oct-6-ène [French] [ACD/IUPAC Name]
27441-38-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 198.5±29.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.7±3.0 kJ/mol
Flash Point: 72.5±20.9 °C
Index of Refraction: 1.670
Molar Refractivity: 36.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.69
ACD/KOC (pH 5.5): 176.91
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.69
ACD/KOC (pH 7.4): 176.91
Polar Surface Area: 25 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 96.7±3.0 cm3

Click to predict properties on the Chemicalize site


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