ChemSpider 2D Image | 2,2-Dimethyl-4,6-dioxo-1,3-dioxane-5-carbaldehyde | C7H8O5

2,2-Dimethyl-4,6-dioxo-1,3-dioxane-5-carbaldehyde

  • Molecular FormulaC7H8O5
  • Average mass172.135 Da
  • Monoisotopic mass172.037170 Da
  • ChemSpider ID26576725

More details:

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

1,3-Dioxane-5-carboxaldehyde, 2,2-dimethyl-4,6-dioxo- [ACD/Index Name]
2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-carbaldehyd [German] [ACD/IUPAC Name]
2,2-Dimethyl-4,6-dioxo-1,3-dioxane-5-carbaldehyde [ACD/IUPAC Name]
2,2-Diméthyl-4,6-dioxo-1,3-dioxane-5-carbaldéhyde [French] [ACD/IUPAC Name]
72793-38-5 [RN]
MFCD24673826

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

Density: 1.4±0.1 g/cm3
Boiling Point: 419.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 194.6±28.8 °C
Index of Refraction: 1.510
Molar Refractivity: 37.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -3.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 126.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement