ChemSpider 2D Image | 4-Chloro-1-phenyl-1,2-butanedione | C10H9ClO2

4-Chloro-1-phenyl-1,2-butanedione

  • Molecular FormulaC10H9ClO2
  • Average mass196.630 Da
  • Monoisotopic mass196.029114 Da
  • ChemSpider ID26286949

More details:

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

1,2-Butanedione, 4-chloro-1-phenyl- [ACD/Index Name]
4-Chlor-1-phenyl-1,2-butandion [German] [ACD/IUPAC Name]
4-Chloro-1-phenyl-1,2-butanedione [ACD/IUPAC Name]
4-Chloro-1-phényl-1,2-butanedione [French] [ACD/IUPAC Name]
1234345-72-2 [RN]
4-chloro-1-phenylbutane-1,2-dione
4-chloro-1-phenyl-butane-1,2-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 290.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.0±3.0 kJ/mol
Flash Point: 121.5±23.2 °C
Index of Refraction: 1.533
Molar Refractivity: 50.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.70
ACD/KOC (pH 5.5): 304.47
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.70
ACD/KOC (pH 7.4): 304.47
Polar Surface Area: 34 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 162.5±3.0 cm3

Click to predict properties on the Chemicalize site


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