ChemSpider 2D Image | 3-(Phenylethynyl)-2,5-furandione | C12H6O3

3-(Phenylethynyl)-2,5-furandione

  • Molecular FormulaC12H6O3
  • Average mass198.174 Da
  • Monoisotopic mass198.031693 Da
  • ChemSpider ID89852319

More details:

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

2,5-Furandione, 3-(2-phenylethynyl)- [ACD/Index Name]
3-(Phenylethinyl)-2,5-furandion [German] [ACD/IUPAC Name]
3-(Phenylethynyl)-2,5-furandione [ACD/IUPAC Name]
3-(Phényléthynyl)-2,5-furanedione [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: 342.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.6±3.0 kJ/mol
Flash Point: 163.3±25.1 °C
Index of Refraction: 1.629
Molar Refractivity: 52.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.73
ACD/KOC (pH 5.5): 294.23
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.73
ACD/KOC (pH 7.4): 294.23
Polar Surface Area: 43 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 146.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement