6,13-Bis(triisopropylsilylethynyl)pentacene C44H54Si2 structure

Flashcard maker : Lily Taylor

C44H54Si2 structure
Molecular Formula C44H54Si2
Average mass 639.071 Da
Density 1.0±0.1 g/cm3
Boiling Point 695.3±51.0 °C at 760 mmHg
Flash Point 337.7±23.4 °C
Molar Refractivity 212.2±0.4 cm3
Polarizability 84.1±0.5 10-24cm3
Surface Tension 40.7±5.0 dyne/cm
Molar Volume 619.8±5.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      221 °C TCI B3562
  • Predicted Physico-chemical Properties
    • Predicted Melting Point:

      221 °C TCI
      221 °C TCI B3562
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 095163

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 695.3±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 337.7±23.4 °C
Index of Refraction: 1.601
Molar Refractivity: 212.2±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 16.88
ACD/LogD (pH 5.5): 15.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 84.1±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 619.8±5.0 cm3

Click to predict properties on the Chemicalize site

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