ChemSpider 2D Image | 4,5-dioctyloxybenzo[1,2-b:4,3-b′]dithiophene | C26H38O2S2

4,5-dioctyloxybenzo[1,2-b:4,3-b′]dithiophene

  • Molecular FormulaC26H38O2S2
  • Average mass446.709 Da
  • Monoisotopic mass446.231323 Da
  • ChemSpider ID25940149

More details:






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

4,5-Bis(octyloxy)thieno[3,2-e][1]benzothiophen [German] [ACD/IUPAC Name]
4,5-Bis(octyloxy)thieno[3,2-e][1]benzothiophene [ACD/IUPAC Name]
4,5-Bis(octyloxy)thiéno[3,2-e][1]benzothiophène [French] [ACD/IUPAC Name]
4,5-dioctyloxybenzo[1,2-b:4,3-b′]dithiophene
Benzo[1,2-b:4,3-b']dithiophene, 4,5-bis(octyloxy)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 556.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 290.6±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 136.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 13.72
ACD/LogD (pH 5.5): 10.66
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 75 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 415.7±3.0 cm3

Click to predict properties on the Chemicalize site






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