ChemSpider 2D Image | 1,4-Di(2-thienyl)-1,4-(2-~2~H_1_)butanedione | C12H9DO2S2

1,4-Di(2-thienyl)-1,4-(2-2H1)butanedione

  • Molecular FormulaC12H9DO2S2
  • Average mass251.343 Da
  • Monoisotopic mass251.018494 Da
  • ChemSpider ID30788170

  • Non-standard isotope - Non-standard isotope

More details:

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

1,4-Butanedione-2-d, 1,4-di-2-thienyl- [ACD/Index Name]
1,4-Di(2-thienyl)-1,4-(2-2H1)butandion [German] [ACD/IUPAC Name]
1,4-Di(2-thienyl)-1,4-(2-2H1)butanedione [ACD/IUPAC Name]
1,4-Di(2-thiényl)-1,4-(2-2H1)butanedione [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 431.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 214.5±24.6 °C
Index of Refraction: 1.617
Molar Refractivity: 67.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.70
ACD/KOC (pH 5.5): 665.40
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.70
ACD/KOC (pH 7.4): 665.40
Polar Surface Area: 91 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 192.4±3.0 cm3

Click to predict properties on the Chemicalize site


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