ChemSpider 2D Image | 2-(3-Oxo-3-phenyl-1-propyn-1-yl)-1,4-benzoquinone | C15H8O3

2-(3-Oxo-3-phenyl-1-propyn-1-yl)-1,4-benzoquinone

  • Molecular FormulaC15H8O3
  • Average mass236.222 Da
  • Monoisotopic mass236.047348 Da
  • ChemSpider ID87592573

More details:

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

2-(3-Oxo-3-phenyl-1-propin-1-yl)-1,4-benzochinon [German] [ACD/IUPAC Name]
2-(3-Oxo-3-phenyl-1-propyn-1-yl)-1,4-benzoquinone [ACD/IUPAC Name]
2-(3-Oxo-3-phényl-1-propyn-1-yl)-1,4-benzoquinone [French] [ACD/IUPAC Name]
2,5-Cyclohexadiene-1,4-dione, 2-(3-oxo-3-phenyl-1-propyn-1-yl)- [ACD/Index 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: 392.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 164.8±16.3 °C
Index of Refraction: 1.634
Molar Refractivity: 64.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.48
ACD/KOC (pH 5.5): 343.32
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.48
ACD/KOC (pH 7.4): 343.32
Polar Surface Area: 51 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 180.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement