ChemSpider 2D Image | 2,3-Diethynyl-2,3-dihydro-1-benzothiophene | C12H8S

2,3-Diethynyl-2,3-dihydro-1-benzothiophene

  • Molecular FormulaC12H8S
  • Average mass184.257 Da
  • Monoisotopic mass184.034668 Da
  • ChemSpider ID109344776

More details:

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

2,3-Diethinyl-2,3-dihydro-1-benzothiophen [German] [ACD/IUPAC Name]
2,3-Diethynyl-2,3-dihydro-1-benzothiophene [ACD/IUPAC Name]
2,3-Diéthynyl-2,3-dihydro-1-benzothiophène [French] [ACD/IUPAC Name]
Benzo[b]thiophene, 2,3-diethynyl-2,3-dihydro- [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: 249.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.7±3.0 kJ/mol
Flash Point: 97.6±24.0 °C
Index of Refraction: 1.645
Molar Refractivity: 56.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.61
ACD/KOC (pH 5.5): 1081.50
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.61
ACD/KOC (pH 7.4): 1081.50
Polar Surface Area: 25 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 154.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement