ChemSpider 2D Image | 2-Cyclohexyne-1,4-dione | C6H4O2

2-Cyclohexyne-1,4-dione

  • Molecular FormulaC6H4O2
  • Average mass108.095 Da
  • Monoisotopic mass108.021126 Da
  • ChemSpider ID57458818

More details:

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

2-Cyclohexin-1,4-dion [German] [ACD/IUPAC Name]
2-Cyclohexyne-1,4-dione [ACD/Index Name] [ACD/IUPAC Name]
2-Cyclohexyne-1,4-dione [French] [ACD/Index Name] [ACD/IUPAC Name]
68997-21-7 [RN]
Cyclohex-2-yne-1,4-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 206.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.3±3.0 kJ/mol
Flash Point: 77.6±17.8 °C
Index of Refraction: 1.513
Molar Refractivity: 26.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.68
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.68
Polar Surface Area: 34 Å2
Polarizability: 10.3±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 86.6±5.0 cm3

Click to predict properties on the Chemicalize site


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