ChemSpider 2D Image | 5,5′-diethynyl-2,2′-bithiophene | C12H6S2

5,5′-diethynyl-2,2′-bithiophene

  • Molecular FormulaC12H6S2
  • Average mass214.306 Da
  • Monoisotopic mass213.991089 Da
  • ChemSpider ID25940416

More details:

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

2,2'-Bithiophene, 5,5'-diethynyl- [ACD/Index Name]
5,5′-diethynyl-2,2′-bithiophene
5,5'-Diethinyl-2,2'-bithiophen [German] [ACD/IUPAC Name]
5,5'-Diethynyl-2,2'-bithiophene [ACD/IUPAC Name]
5,5'-Diéthynyl-2,2'-bithiophène [French] [ACD/IUPAC Name]
139896-68-7 [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: 355.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.7±3.0 kJ/mol
Flash Point: 125.8±14.1 °C
Index of Refraction: 1.672
Molar Refractivity: 61.9±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 588.80
ACD/KOC (pH 5.5): 3344.62
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 588.80
ACD/KOC (pH 7.4): 3344.62
Polar Surface Area: 56 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 165.2±5.0 cm3

Click to predict properties on the Chemicalize site


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