ChemSpider 2D Image | 4-Chloro-4-fluoro-2,5-cyclohexadien-1-one | C6H4ClFO

4-Chloro-4-fluoro-2,5-cyclohexadien-1-one

  • Molecular FormulaC6H4ClFO
  • Average mass146.547 Da
  • Monoisotopic mass145.993469 Da
  • ChemSpider ID60824223

More details:

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

104798-54-1 [RN]
2,5-Cyclohexadien-1-one, 4-chloro-4-fluoro- [ACD/Index Name]
4-Chlor-4-fluor-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-Chloro-4-fluoro-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-Chloro-4-fluoro-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
MFCD24697821

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

Density: 1.3±0.1 g/cm3
Boiling Point: 200.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.7±3.0 kJ/mol
Flash Point: 75.3±27.3 °C
Index of Refraction: 1.505
Molar Refractivity: 32.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.59
ACD/KOC (pH 5.5): 86.96
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.59
ACD/KOC (pH 7.4): 86.96
Polar Surface Area: 17 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 33.6±5.0 dyne/cm
Molar Volume: 110.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement