ChemSpider 2D Image | 3,6-Dioxabicyclo[3.1.0]hexan-2-one | C4H4O3

3,6-Dioxabicyclo[3.1.0]hexan-2-one

  • Molecular FormulaC4H4O3
  • Average mass100.073 Da
  • Monoisotopic mass100.016045 Da
  • ChemSpider ID24221360

More details:

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

3,6-Dioxabicyclo[3.1.0]hexan-2-on [German] [ACD/IUPAC Name]
3,6-Dioxabicyclo[3.1.0]hexan-2-one [ACD/Index Name] [ACD/IUPAC Name]
3,6-Dioxabicyclo[3.1.0]hexan-2-one [French] [ACD/Index Name] [ACD/IUPAC Name]
754147-29-0 [RN]
MFCD18817467

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

Density: 1.5±0.1 g/cm3
Boiling Point: 257.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.5±3.0 kJ/mol
Flash Point: 101.7±17.2 °C
Index of Refraction: 1.513
Molar Refractivity: 19.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.78
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.51
ACD/LogD (pH 7.4): -1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.51
Polar Surface Area: 39 Å2
Polarizability: 7.9±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 66.1±3.0 cm3

Click to predict properties on the Chemicalize site


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