ChemSpider 2D Image | 4-Hydroxy-4-cyclohexen-2-yn-1-one | C6H4O2

4-Hydroxy-4-cyclohexen-2-yn-1-one

  • Molecular FormulaC6H4O2
  • Average mass108.095 Da
  • Monoisotopic mass108.021126 Da
  • ChemSpider ID95697922

More details:

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

4-Cyclohexen-2-yn-1-one, 4-hydroxy- [ACD/Index Name]
4-Hydroxy-4-cyclohexen-2-in-1-on [German] [ACD/IUPAC Name]
4-Hydroxy-4-cyclohexen-2-yn-1-one [ACD/IUPAC Name]
4-Hydroxy-4-cyclohexén-2-yn-1-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 263.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.2±6.0 kJ/mol
Flash Point: 127.3±26.6 °C
Index of Refraction: 1.591
Molar Refractivity: 27.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 40.65
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.27
Polar Surface Area: 37 Å2
Polarizability: 10.8±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 80.2±5.0 cm3

Click to predict properties on the Chemicalize site


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