ChemSpider 2D Image | 2,7-Dioxo-2,7-dihydro-4-oxepinecarboxylic acid | C7H4O5

2,7-Dioxo-2,7-dihydro-4-oxepinecarboxylic acid

  • Molecular FormulaC7H4O5
  • Average mass168.104 Da
  • Monoisotopic mass168.005875 Da
  • ChemSpider ID60746664

More details:

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

2,7-Dioxo-2,7-dihydro-4-oxepincarbonsäure [German] [ACD/IUPAC Name]
2,7-Dioxo-2,7-dihydro-4-oxepinecarboxylic acid [ACD/IUPAC Name]
4-Oxepincarboxylic acid, 2,7-dihydro-2,7-dioxo- [ACD/Index Name]
Acide 2,7-dioxo-2,7-dihydro-4-oxépinecarboxylique [French] [ACD/IUPAC Name]
443642-08-8 [RN]
MFCD20656677

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

Density: 1.6±0.1 g/cm3
Boiling Point: 326.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.5±6.0 kJ/mol
Flash Point: 140.9±19.4 °C
Index of Refraction: 1.578
Molar Refractivity: 34.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -4.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 105.1±3.0 cm3

Click to predict properties on the Chemicalize site


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