ChemSpider 2D Image | 3-[(3,6-Dioxo-1,4-cyclohexadien-1-yl)ethynyl]benzaldehyde | C15H8O3

3-[(3,6-Dioxo-1,4-cyclohexadien-1-yl)ethynyl]benzaldehyde

  • Molecular FormulaC15H8O3
  • Average mass236.222 Da
  • Monoisotopic mass236.047348 Da
  • ChemSpider ID81482170

More details:

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

3-[(3,6-Dioxo-1,4-cyclohexadien-1-yl)ethinyl]benzaldehyd [German] [ACD/IUPAC Name]
3-[(3,6-Dioxo-1,4-cyclohexadien-1-yl)ethynyl]benzaldehyde [ACD/IUPAC Name]
3-[(3,6-Dioxo-1,4-cyclohexadién-1-yl)éthynyl]benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 3-[2-(3,6-dioxo-1,4-cyclohexadien-1-yl)ethynyl]- [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: 408.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 178.1±23.9 °C
Index of Refraction: 1.638
Molar Refractivity: 64.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.14
ACD/KOC (pH 5.5): 417.19
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.14
ACD/KOC (pH 7.4): 417.19
Polar Surface Area: 51 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 179.7±5.0 cm3

Click to predict properties on the Chemicalize site


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