ChemSpider 2D Image | 2-Oxabicyclo[2.2.2]octa-1(6),7-diene-3,5-dione | C7H4O3

2-Oxabicyclo[2.2.2]octa-1(6),7-diene-3,5-dione

  • Molecular FormulaC7H4O3
  • Average mass136.105 Da
  • Monoisotopic mass136.016037 Da
  • ChemSpider ID29336752

More details:

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

2-Oxabicyclo[2.2.2]octa-1(6),7-dien-3,5-dion [German] [ACD/IUPAC Name]
2-Oxabicyclo[2.2.2]octa-1(6),7-diene-3,5-dione [ACD/IUPAC Name]
2-Oxabicyclo[2.2.2]octa-1(6),7-diène-3,5-dione [French] [ACD/IUPAC Name]
2-Oxabicyclo[2.2.2]octa-6,7-diene-3,5-dione [ACD/Index Name]
oxo-parabenzlactone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 460.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 216.4±25.7 °C
Index of Refraction: 1.589
Molar Refractivity: 31.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.04
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.14
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.07
Polar Surface Area: 43 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 94.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement