ChemSpider 2D Image | 2-[1-(4-Chlorophenyl)ethyl]-1-phenyl-1,3-butanedione | C18H17ClO2

2-[1-(4-Chlorophenyl)ethyl]-1-phenyl-1,3-butanedione

  • Molecular FormulaC18H17ClO2
  • Average mass300.779 Da
  • Monoisotopic mass300.091705 Da
  • ChemSpider ID21118279

More details:

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

1,3-Butanedione, 2-[1-(4-chlorophenyl)ethyl]-1-phenyl- [ACD/Index Name]
2-[1-(4-Chlorophenyl)ethyl]-1-phenyl-1,3-butanedione [ACD/IUPAC Name]
2-[1-(4-Chlorophényl)éthyl]-1-phényl-1,3-butanedione [French] [ACD/IUPAC Name]
2-(1-(4-Chlorophenyl)ethyl)-1-phenylbutane-1,3-dione
2-[1-(4-chlorophenyl)ethyl]-1-phenylbutane-1,3-dione
727401-25-4 [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: 434.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 183.1±26.5 °C
Index of Refraction: 1.567
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2303.24
ACD/KOC (pH 5.5): 8878.00
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2241.39
ACD/KOC (pH 7.4): 8639.60
Polar Surface Area: 34 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 257.9±3.0 cm3

Click to predict properties on the Chemicalize site


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