ChemSpider 2D Image | 7-Oxo-2,7-dihydro-4-oxepinecarboxylic acid | C7H6O4

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

  • Molecular FormulaC7H6O4
  • Average mass154.120 Da
  • Monoisotopic mass154.026611 Da
  • ChemSpider ID66424541

More details:

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

4-Oxepincarboxylic acid, 2,7-dihydro-7-oxo- [ACD/Index Name]
7-Oxo-2,7-dihydro-4-oxepincarbonsäure [German] [ACD/IUPAC Name]
7-Oxo-2,7-dihydro-4-oxepinecarboxylic acid [ACD/IUPAC Name]
Acide 7-oxo-2,7-dihydro-4-oxépinecarboxylique [French] [ACD/IUPAC Name]
4-carboxymuconolactone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 388.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.0±6.0 kJ/mol
Flash Point: 170.4±19.4 °C
Index of Refraction: 1.553
Molar Refractivity: 34.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.87
ACD/LogD (pH 5.5): -2.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 108.6±3.0 cm3

Click to predict properties on the Chemicalize site


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