ChemSpider 2D Image | 1-Hydroperoxyacetone | C3H6O3

1-Hydroperoxyacetone

  • Molecular FormulaC3H6O3
  • Average mass90.078 Da
  • Monoisotopic mass90.031693 Da
  • ChemSpider ID10820349

More details:

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

1-Hydroperoxyaceton [German] [ACD/IUPAC Name]
1-Hydroperoxyacetone [ACD/IUPAC Name]
1-Hydroperoxyacétone [French] [ACD/IUPAC Name]
2-Propanone, 1-hydroperoxy- [ACD/Index Name]
acetonylhydroperoxide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 212.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.2±6.0 kJ/mol
Flash Point: 99.9±16.1 °C
Index of Refraction: 1.402
Molar Refractivity: 19.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.95
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.55
Polar Surface Area: 47 Å2
Polarizability: 7.6±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 79.0±3.0 cm3

Click to predict properties on the Chemicalize site


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