ChemSpider 2D Image | 3-(1-Propyn-1-yl)-2,5-furandione | C7H4O3

3-(1-Propyn-1-yl)-2,5-furandione

  • Molecular FormulaC7H4O3
  • Average mass136.105 Da
  • Monoisotopic mass136.016037 Da
  • ChemSpider ID85650453

More details:

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

2,5-Furandione, 3-(1-propyn-1-yl)- [ACD/Index Name]
3-(1-Propin-1-yl)-2,5-furandion [German] [ACD/IUPAC Name]
3-(1-Propyn-1-yl)-2,5-furandione [ACD/IUPAC Name]
3-(1-Propyn-1-yl)-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: 243.4±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.0±3.0 kJ/mol
Flash Point: 111.5±21.5 °C
Index of Refraction: 1.536
Molar Refractivity: 32.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.32
ACD/KOC (pH 5.5): 63.55
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 2.32
ACD/KOC (pH 7.4): 63.55
Polar Surface Area: 43 Å2
Polarizability: 12.7±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 102.8±5.0 cm3

Click to predict properties on the Chemicalize site


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