ChemSpider 2D Image | 5,5'-(3,4-Thienediyl)bis(1,3-benzodioxole) | C18H12O4S

5,5'-(3,4-Thienediyl)bis(1,3-benzodioxole)

  • Molecular FormulaC18H12O4S
  • Average mass324.350 Da
  • Monoisotopic mass324.045624 Da
  • ChemSpider ID57470208

More details:

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

1,3-Benzodioxole, 5,5'-(3,4-thienediyl)bis- [ACD/Index Name]
5,5'-(3,4-Thiendiyl)bis(1,3-benzodioxol) [German] [ACD/IUPAC Name]
5,5'-(3,4-Thienediyl)bis(1,3-benzodioxole) [ACD/IUPAC Name]
5,5'-(3,4-Thiènediyl)bis(1,3-benzodioxole) [French] [ACD/IUPAC Name]
1,3-BENZODIOXOLE, 5,5'-(3,4-THIOPHENEDIYL)BIS-
62497-34-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 394.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 192.5±27.9 °C
Index of Refraction: 1.665
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 669.39
ACD/KOC (pH 5.5): 3666.24
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 669.39
ACD/KOC (pH 7.4): 3666.24
Polar Surface Area: 65 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 231.8±3.0 cm3

Click to predict properties on the Chemicalize site


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