ChemSpider 2D Image | 5-Acetoacetyl-2,2-dimethyl-1,3-dioxane-4,6-dione | C10H12O6

5-Acetoacetyl-2,2-dimethyl-1,3-dioxane-4,6-dione

  • Molecular FormulaC10H12O6
  • Average mass228.199 Da
  • Monoisotopic mass228.063385 Da
  • ChemSpider ID28687137

More details:

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

1,3-Dioxane-4,6-dione, 5-(1,3-dioxobutyl)-2,2-dimethyl- [ACD/Index Name]
5-Acetoacetyl-2,2-dimethyl-1,3-dioxan-4,6-dion [German] [ACD/IUPAC Name]
5-Acetoacetyl-2,2-dimethyl-1,3-dioxane-4,6-dione [ACD/IUPAC Name]
5-Acetoacetyl-2,2-diméthyl-1,3-dioxane-4,6-dione [French] [ACD/IUPAC Name]
143456-22-8 [RN]
2,2-Dimethyl-5-(3-oxobutanoyl)-1,3-dioxane-4,6-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 473.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 216.2±28.8 °C
Index of Refraction: 1.461
Molar Refractivity: 49.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.75
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 181.3±3.0 cm3

Click to predict properties on the Chemicalize site


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