ChemSpider 2D Image | 4,6,6-Trichloro-2,4-cyclohexadien-1-one | C6H3Cl3O

4,6,6-Trichloro-2,4-cyclohexadien-1-one

  • Molecular FormulaC6H3Cl3O
  • Average mass197.446 Da
  • Monoisotopic mass195.924942 Da
  • ChemSpider ID28714121

More details:

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

2,4-Cyclohexadien-1-one, 4,6,6-trichloro- [ACD/Index Name]
4,6,6-Trichlor-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4,6,6-Trichloro-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
4,6,6-Trichloro-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
4,6,6-Trichlorocyclohexa-2,4-dien-1-one
97911-01-8 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 237.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.4±3.0 kJ/mol
Flash Point: 96.4±27.9 °C
Index of Refraction: 1.569
Molar Refractivity: 42.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 12.00
ACD/KOC (pH 5.5): 206.11
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 12.00
ACD/KOC (pH 7.4): 206.11
Polar Surface Area: 17 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 128.1±5.0 cm3

Click to predict properties on the Chemicalize site


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