ChemSpider 2D Image | 4-Iodo-2,5-cyclohexadien-1-one | C6H5IO

4-Iodo-2,5-cyclohexadien-1-one

  • Molecular FormulaC6H5IO
  • Average mass220.008 Da
  • Monoisotopic mass219.938507 Da
  • ChemSpider ID103869063

More details:

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

111022-29-8 [RN]
2,5-Cyclohexadien-1-one, 4-iodo- [ACD/Index Name]
4-Iod-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-Iodo-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-Iodo-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 245.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.3±3.0 kJ/mol
Flash Point: 102.5±27.3 °C
Index of Refraction: 1.635
Molar Refractivity: 40.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.75
ACD/KOC (pH 5.5): 89.66
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 89.66
Polar Surface Area: 17 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 113.5±5.0 cm3

Click to predict properties on the Chemicalize site


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