ChemSpider 2D Image | 6-(1-Propyn-1-yl)-1H,3H-benzo[de]isochromene-1,3-dione | C15H8O3

6-(1-Propyn-1-yl)-1H,3H-benzo[de]isochromene-1,3-dione

  • Molecular FormulaC15H8O3
  • Average mass236.222 Da
  • Monoisotopic mass236.047348 Da
  • ChemSpider ID94795055

More details:

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

1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-(1-propyn-1-yl)- [ACD/Index Name]
6-(1-Propin-1-yl)-1H,3H-benzo[de]isochromen-1,3-dion [German] [ACD/IUPAC Name]
6-(1-Propyn-1-yl)-1H,3H-benzo[de]isochromene-1,3-dione [ACD/IUPAC Name]
6-(1-Propyn-1-yl)-1H,3H-benzo[de]isochromène-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: 465.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 236.8±21.2 °C
Index of Refraction: 1.696
Molar Refractivity: 65.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.59
ACD/KOC (pH 5.5): 702.74
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.59
ACD/KOC (pH 7.4): 702.74
Polar Surface Area: 43 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 170.0±5.0 cm3

Click to predict properties on the Chemicalize site


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