ChemSpider 2D Image | diacetyl oxalate | C6H6O6

diacetyl oxalate

  • Molecular FormulaC6H6O6
  • Average mass174.108 Da
  • Monoisotopic mass174.016434 Da
  • ChemSpider ID25991421

More details:






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

diacetyl oxalate
Acetic oxalic anhydride [Wiki]
19037-85-5 [RN]
acetoxy diketone
PUBCHEM_54484691

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

Density: 1.4±0.1 g/cm3
Boiling Point: 241.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.9±3.0 kJ/mol
Flash Point: 101.7±22.7 °C
Index of Refraction: 1.433
Molar Refractivity: 33.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.68
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.68
Polar Surface Area: 87 Å2
Polarizability: 13.3±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 128.8±3.0 cm3

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