ChemSpider 2D Image | 5-[3-(4-Methyl-2,5-dioxo-2,5-dihydro-3-furanyl)-1-propyn-1-yl]-2-benzofuran-1,3-dione | C16H8O6

5-[3-(4-Methyl-2,5-dioxo-2,5-dihydro-3-furanyl)-1-propyn-1-yl]-2-benzofuran-1,3-dione

  • Molecular FormulaC16H8O6
  • Average mass296.231 Da
  • Monoisotopic mass296.032074 Da
  • ChemSpider ID98864318

More details:

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

1,3-Isobenzofurandione, 5-[3-(2,5-dihydro-4-methyl-2,5-dioxo-3-furanyl)-1-propyn-1-yl]- [ACD/Index Name]
5-[3-(4-Methyl-2,5-dioxo-2,5-dihydro-3-furanyl)-1-propin-1-yl]-2-benzofuran-1,3-dion [German] [ACD/IUPAC Name]
5-[3-(4-Methyl-2,5-dioxo-2,5-dihydro-3-furanyl)-1-propyn-1-yl]-2-benzofuran-1,3-dione [ACD/IUPAC Name]
5-[3-(4-Méthyl-2,5-dioxo-2,5-dihydro-3-furanyl)-1-propyn-1-yl]-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: 1.5±0.1 g/cm3
Boiling Point: 549.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 247.8±26.0 °C
Index of Refraction: 1.653
Molar Refractivity: 70.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.74
ACD/KOC (pH 5.5): 294.33
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.74
ACD/KOC (pH 7.4): 294.33
Polar Surface Area: 87 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 192.3±5.0 cm3

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