ChemSpider 2D Image | 5-(3-Chloro-2,4,6-trimethylphenyl)-1,3-cyclohexanedione | C15H17ClO2

5-(3-Chloro-2,4,6-trimethylphenyl)-1,3-cyclohexanedione

  • Molecular FormulaC15H17ClO2
  • Average mass264.747 Da
  • Monoisotopic mass264.091705 Da
  • ChemSpider ID57503732

More details:

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

1,3-Cyclohexanedione, 5-(3-chloro-2,4,6-trimethylphenyl)- [ACD/Index Name]
5-(3-Chlor-2,4,6-trimethylphenyl)-1,3-cyclohexandion [German] [ACD/IUPAC Name]
5-(3-Chloro-2,4,6-trimethylphenyl)-1,3-cyclohexanedione [ACD/IUPAC Name]
5-(3-Chloro-2,4,6-triméthylphényl)-1,3-cyclohexanedione [French] [ACD/IUPAC Name]
5-(3-Chloro-2,4,6-trimethylphenyl)cyclohexane-1,3-dione
88176-24-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 427.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 180.5±29.3 °C
Index of Refraction: 1.552
Molar Refractivity: 71.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 27.51
ACD/KOC (pH 5.5): 227.92
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.49
Polar Surface Area: 34 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 224.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement