ChemSpider 2D Image | Diethyl benzo[6,7]perylo[1,12-bcd]thiophene-6,7-dicarboxylate | C28H18O4S

Diethyl benzo[6,7]perylo[1,12-bcd]thiophene-6,7-dicarboxylate

  • Molecular FormulaC28H18O4S
  • Average mass450.505 Da
  • Monoisotopic mass450.092590 Da
  • ChemSpider ID30658746

More details:

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

Benzo[6,7]peryleno[1,12-bcd]thiophene-6,7-dicarboxylic acid, diethyl ester [ACD/Index Name]
Benzo[6,7]pérylo[1,12-bcd]thiophène-6,7-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl benzo[6,7]perylo[1,12-bcd]thiophene-6,7-dicarboxylate [ACD/IUPAC Name]
Diethyl-benzo[6,7]perylo[1,12-bcd]thiophen-6,7-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 612.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.1±25.9 °C
Index of Refraction: 1.915
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 7.49
ACD/BCF (pH 5.5): 291142.19
ACD/KOC (pH 5.5): 283648.66
ACD/LogD (pH 7.4): 7.49
ACD/BCF (pH 7.4): 291142.19
ACD/KOC (pH 7.4): 283648.66
Polar Surface Area: 81 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 76.3±3.0 dyne/cm
Molar Volume: 303.0±3.0 cm3

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