ChemSpider 2D Image | 2-Hydroxy-1,3-butadiene-1,4-dione | C4H2O3

2-Hydroxy-1,3-butadiene-1,4-dione

  • Molecular FormulaC4H2O3
  • Average mass98.057 Da
  • Monoisotopic mass98.000397 Da
  • ChemSpider ID74015629

More details:

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

1,3-Butadiene-1,4-dione, 2-hydroxy- [ACD/Index Name]
2-Hydroxy-1,3-butadien-1,4-dion [German] [ACD/IUPAC Name]
2-Hydroxy-1,3-butadiene-1,4-dione [ACD/IUPAC Name]
2-Hydroxy-1,3-butadiène-1,4-dione [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 92.7±40.0 °C at 760 mmHg
Vapour Pressure: 30.7±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.8±6.0 kJ/mol
Flash Point: 20.3±19.9 °C
Index of Refraction: 1.445
Molar Refractivity: 22.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -3.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 8.8±0.5 10-24cm3
Surface Tension: 7.5±3.0 dyne/cm
Molar Volume: 83.8±3.0 cm3

Click to predict properties on the Chemicalize site


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