ChemSpider 2D Image | 4,5-Dichloro-2,4-cyclohexadien-1-one | C6H4Cl2O

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

  • Molecular FormulaC6H4Cl2O
  • Average mass163.001 Da
  • Monoisotopic mass161.963913 Da
  • ChemSpider ID60826691

More details:






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

2,4-Cyclohexadien-1-one, 4,5-dichloro- [ACD/Index Name]
4,5-Dichlor-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4,5-Dichloro-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
4,5-Dichloro-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2089912-67-2 [RN]
MFCD24710156

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 192.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.8±3.0 kJ/mol
Flash Point: 74.3±27.9 °C
Index of Refraction: 1.550
Molar Refractivity: 36.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.18
ACD/KOC (pH 5.5): 243.83
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.18
ACD/KOC (pH 7.4): 243.83
Polar Surface Area: 17 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 40.1±5.0 dyne/cm
Molar Volume: 115.9±5.0 cm3

Click to predict properties on the Chemicalize site






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