ChemSpider 2D Image | 2,2'-[(3,3,4,4,5,5-Hexafluoro-1-cyclopentene-1,2-diyl)bis(5-methyl-4,2-thienediyl)]bis(1,3-dithiolane) | C21H18F6S6

2,2'-[(3,3,4,4,5,5-Hexafluoro-1-cyclopentene-1,2-diyl)bis(5-methyl-4,2-thienediyl)]bis(1,3-dithiolane)

  • Molecular FormulaC21H18F6S6
  • Average mass576.748 Da
  • Monoisotopic mass575.963684 Da
  • ChemSpider ID21122481

More details:

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

1,3-Dithiolane, 2,2'-[(3,3,4,4,5,5-hexafluoro-1-cyclopentene-1,2-diyl)bis(5-methyl-4,2-thienediyl)]bis- [ACD/Index Name]
2,2'-[(3,3,4,4,5,5-Hexafluor-1-cyclopenten-1,2-diyl)bis(5-methyl-4,2-thiendiyl)]bis(1,3-dithiolan) [German] [ACD/IUPAC Name]
2,2'-[(3,3,4,4,5,5-Hexafluoro-1-cyclopentene-1,2-diyl)bis(5-methyl-4,2-thienediyl)]bis(1,3-dithiolane) [ACD/IUPAC Name]
2,2'-[(3,3,4,4,5,5-Hexafluoro-1-cyclopentène-1,2-diyl)bis(5-méthyl-4,2-thiènediyl)]bis(1,3-dithiolane) [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 610.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 323.3±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 7.21
ACD/BCF (pH 5.5): 176305.89
ACD/KOC (pH 5.5): 198086.11
ACD/LogD (pH 7.4): 7.21
ACD/BCF (pH 7.4): 176305.89
ACD/KOC (pH 7.4): 198086.11
Polar Surface Area: 158 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 364.9±5.0 cm3

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