ChemSpider 2D Image | 2(7H)-Oxepinone | C6H6O2

2(7H)-Oxepinone

  • Molecular FormulaC6H6O2
  • Average mass110.111 Da
  • Monoisotopic mass110.036781 Da
  • ChemSpider ID29318461

More details:

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

2(7H)-Oxepinon [German] [ACD/IUPAC Name]
2(7H)-Oxepinone [ACD/Index Name] [ACD/IUPAC Name]
2(7H)-Oxépinone [French] [ACD/IUPAC Name]
(+)-Muconolactone
Muconolactone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 268.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.6±3.0 kJ/mol
Flash Point: 106.5±16.1 °C
Index of Refraction: 1.494
Molar Refractivity: 28.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.34
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.34
Polar Surface Area: 26 Å2
Polarizability: 11.3±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 98.3±3.0 cm3

Click to predict properties on the Chemicalize site


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