ChemSpider 2D Image | 2,3-Dihydroxy-1,3-butadiene-1,4-dione | C4H2O4

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

  • Molecular FormulaC4H2O4
  • Average mass114.056 Da
  • Monoisotopic mass113.995308 Da
  • ChemSpider ID74015632

More details:

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

1,3-Butadiene-1,4-dione, 2,3-dihydroxy- [ACD/Index Name]
2,3-Dihydroxy-1,3-butadien-1,4-dion [German] [ACD/IUPAC Name]
2,3-Dihydroxy-1,3-butadiene-1,4-dione [ACD/IUPAC Name]
2,3-Dihydroxy-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: 1.4±0.1 g/cm3
Boiling Point: 98.6±40.0 °C at 760 mmHg
Vapour Pressure: 22.8±0.4 mmHg at 25°C
Enthalpy of Vaporization: 39.4±6.0 kJ/mol
Flash Point: 27.8±23.8 °C
Index of Refraction: 1.495
Molar Refractivity: 23.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -4.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 12.2±3.0 dyne/cm
Molar Volume: 81.1±3.0 cm3

Click to predict properties on the Chemicalize site


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