ChemSpider 2D Image | 3-[(3,5-Diethynylphenyl)ethynyl]-1H-pyrrole-2,5-dione | C16H7NO2

3-[(3,5-Diethynylphenyl)ethynyl]-1H-pyrrole-2,5-dione

  • Molecular FormulaC16H7NO2
  • Average mass245.232 Da
  • Monoisotopic mass245.047684 Da
  • ChemSpider ID84187625

More details:

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

1H-Pyrrole-2,5-dione, 3-[2-(3,5-diethynylphenyl)ethynyl]- [ACD/Index Name]
3-[(3,5-Diethinylphenyl)ethinyl]-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-[(3,5-Diethynylphenyl)ethynyl]-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-[(3,5-Diéthynylphényl)éthynyl]-1H-pyrrole-2,5-dione [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: 460.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 189.5±28.9 °C
Index of Refraction: 1.670
Molar Refractivity: 68.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 65.54
ACD/KOC (pH 5.5): 690.31
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 23.89
ACD/KOC (pH 7.4): 251.63
Polar Surface Area: 46 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 182.5±5.0 cm3

Click to predict properties on the Chemicalize site


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