ChemSpider 2D Image | 3,4-Dichloro-2,5-cyclohexadien-1-one | C6H4Cl2O

3,4-Dichloro-2,5-cyclohexadien-1-one

  • Molecular FormulaC6H4Cl2O
  • Average mass163.001 Da
  • Monoisotopic mass161.963913 Da
  • ChemSpider ID60607452

More details:

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

2,5-Cyclohexadien-1-one, 3,4-dichloro- [ACD/Index Name]
3,4-Dichlor-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
3,4-Dichloro-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
3,4-Dichloro-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
1378833-75-0 [RN]
MFCD20636043

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

Density: 1.4±0.1 g/cm3
Boiling Point: 251.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.9±3.0 kJ/mol
Flash Point: 103.4±27.9 °C
Index of Refraction: 1.550
Molar Refractivity: 37.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.37
ACD/KOC (pH 5.5): 210.59
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.37
ACD/KOC (pH 7.4): 210.59
Polar Surface Area: 17 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 116.6±5.0 cm3

Click to predict properties on the Chemicalize site


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