ChemSpider 2D Image | 3-Methyl-3-cyclobutene-1,2-dione | C5H4O2

3-Methyl-3-cyclobutene-1,2-dione

  • Molecular FormulaC5H4O2
  • Average mass96.084 Da
  • Monoisotopic mass96.021126 Da
  • ChemSpider ID60823402

More details:






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

3-Cyclobutene-1,2-dione, 3-methyl- [ACD/Index Name]
3-Methyl-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-Methyl-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-Méthyl-3-cyclobutène-1,2-dione [French] [ACD/IUPAC Name]
114094-82-5 [RN]
MFCD24693185

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 169.6±23.0 °C at 760 mmHg
Vapour Pressure: 1.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.6±3.0 kJ/mol
Flash Point: 54.9±8.2 °C
Index of Refraction: 1.524
Molar Refractivity: 23.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 42.85
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 42.85
Polar Surface Area: 34 Å2
Polarizability: 9.1±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 75.3±3.0 cm3

Click to predict properties on the Chemicalize site






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