ChemSpider 2D Image | 4,8-Bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene | C26H38O2S2

4,8-Bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene

  • Molecular FormulaC26H38O2S2
  • Average mass446.709 Da
  • Monoisotopic mass446.231323 Da
  • ChemSpider ID28599814

More details:

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

1098102-94-3 [RN]
4,8-Bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene
4,8-Bis(octyloxy)thieno[2,3-f][1]benzothiophen [German] [ACD/IUPAC Name]
4,8-Bis(octyloxy)thieno[2,3-f][1]benzothiophene [ACD/IUPAC Name]
4,8-Bis(octyloxy)thiéno[2,3-f][1]benzothiophène [French] [ACD/IUPAC Name]
Benzo[1,2-b:4,5-b']dithiophene, 4,8-bis(octyloxy)- [ACD/Index Name]
[1098102-94-3] [RN]
2,8-bis(octyloxy)-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1,3(7),5,8,11-pentaene
4,8-Bis(octyloxy)benzo[1,2-b:4,5-b']bisthiophene
4,8-bis(octyloxy)benzo[1,2-b:4,5-b]dithiophene
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 565.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 81.8±3.0 kJ/mol
    Flash Point: 295.9±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: 13.81
    ACD/LogD (pH 5.5): 10.72
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 10.72
    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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