ChemSpider 2D Image | 4-Chloro-1-oxo-1-phenyl-2-butanyl acetate | C12H13ClO3

4-Chloro-1-oxo-1-phenyl-2-butanyl acetate

  • Molecular FormulaC12H13ClO3
  • Average mass240.683 Da
  • Monoisotopic mass240.055328 Da
  • ChemSpider ID26286968

More details:

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

1-Butanone, 2-(acetyloxy)-4-chloro-1-phenyl- [ACD/Index Name]
4-Chlor-1-oxo-1-phenyl-2-butanyl-acetat [German] [ACD/IUPAC Name]
4-Chloro-1-oxo-1-phenyl-2-butanyl acetate [ACD/IUPAC Name]
Acétate de 4-chloro-1-oxo-1-phényl-2-butanyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 338.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 136.0±22.7 °C
Index of Refraction: 1.519
Molar Refractivity: 61.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.98
ACD/KOC (pH 5.5): 786.83
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.98
ACD/KOC (pH 7.4): 786.83
Polar Surface Area: 43 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 202.2±3.0 cm3

Click to predict properties on the Chemicalize site


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