ChemSpider 2D Image | 3-Methyl-4-(4-phenyl-1,3-butadiyn-1-yl)-3-cyclobutene-1,2-dione | C15H8O2

3-Methyl-4-(4-phenyl-1,3-butadiyn-1-yl)-3-cyclobutene-1,2-dione

  • Molecular FormulaC15H8O2
  • Average mass220.223 Da
  • Monoisotopic mass220.052429 Da
  • ChemSpider ID75538245

More details:

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

3-Cyclobutene-1,2-dione, 3-methyl-4-(4-phenyl-1,3-butadiyn-1-yl)- [ACD/Index Name]
3-Methyl-4-(4-phenyl-1,3-butadiin-1-yl)-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-Methyl-4-(4-phenyl-1,3-butadiyn-1-yl)-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-Méthyl-4-(4-phényl-1,3-butadiyn-1-yl)-3-cyclobutène-1,2-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: 378.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 158.2±16.3 °C
Index of Refraction: 1.638
Molar Refractivity: 62.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 264.98
ACD/KOC (pH 5.5): 1888.58
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 264.98
ACD/KOC (pH 7.4): 1888.58
Polar Surface Area: 34 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 172.8±5.0 cm3

Click to predict properties on the Chemicalize site


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