ChemSpider 2D Image | 2,4-Cyclopentadiyn-1-yl(1-isoquinolinyl)methanone | C15H7NO

2,4-Cyclopentadiyn-1-yl(1-isoquinolinyl)methanone

  • Molecular FormulaC15H7NO
  • Average mass217.222 Da
  • Monoisotopic mass217.052765 Da
  • ChemSpider ID95652504

More details:

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

2,4-Cyclopentadiin-1-yl(1-isochinolinyl)methanon [German] [ACD/IUPAC Name]
2,4-Cyclopentadiyn-1-yl(1-isoquinoléinyl)méthanone [French] [ACD/IUPAC Name]
2,4-Cyclopentadiyn-1-yl(1-isoquinolinyl)methanone [ACD/IUPAC Name]
Methanone, 2,4-cyclopentadiyn-1-yl-1-isoquinolinyl- [ACD/Index 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: 416.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 211.9±38.9 °C
Index of Refraction: 1.726
Molar Refractivity: 64.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 560.07
ACD/KOC (pH 5.5): 3226.95
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 560.07
ACD/KOC (pH 7.4): 3226.98
Polar Surface Area: 30 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 160.9±5.0 cm3

Click to predict properties on the Chemicalize site


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