ChemSpider 2D Image | 3-Bromo-1,2,4-cyclopentanetrione | C5H3BrO3

3-Bromo-1,2,4-cyclopentanetrione

  • Molecular FormulaC5H3BrO3
  • Average mass190.980 Da
  • Monoisotopic mass189.926544 Da
  • ChemSpider ID60606074

More details:

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

1,2,4-Cyclopentanetrione, 3-bromo- [ACD/Index Name]
3-Brom-1,2,4-cyclopentantrion [German] [ACD/IUPAC Name]
3-Bromo-1,2,4-cyclopentanetrione [ACD/IUPAC Name]
3-Bromo-1,2,4-cyclopentanetrione [French] [ACD/IUPAC Name]
22922-42-5 [RN]
MFCD20631568

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

Density: 2.1±0.1 g/cm3
Boiling Point: 299.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 147.4±13.9 °C
Index of Refraction: 1.590
Molar Refractivity: 31.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 51 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 92.6±3.0 cm3

Click to predict properties on the Chemicalize site


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