ChemSpider 2D Image | 4-(4-Pyridinylethynyl)-2-benzofuran-1,3-dione | C15H7NO3

4-(4-Pyridinylethynyl)-2-benzofuran-1,3-dione

  • Molecular FormulaC15H7NO3
  • Average mass249.221 Da
  • Monoisotopic mass249.042587 Da
  • ChemSpider ID89242908

More details:

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

1,3-Isobenzofurandione, 4-[2-(4-pyridinyl)ethynyl]- [ACD/Index Name]
4-(4-Pyridinylethinyl)-2-benzofuran-1,3-dion [German] [ACD/IUPAC Name]
4-(4-Pyridinylethynyl)-2-benzofuran-1,3-dione [ACD/IUPAC Name]
4-(4-Pyridinyléthynyl)-2-benzofurane-1,3-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 492.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.6±23.2 °C
Index of Refraction: 1.686
Molar Refractivity: 65.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.29
ACD/KOC (pH 5.5): 407.42
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.80
ACD/KOC (pH 7.4): 414.04
Polar Surface Area: 56 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 172.7±5.0 cm3

Click to predict properties on the Chemicalize site


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