ChemSpider 2D Image | Ethyl 4-(2-chlorophenyl)-4-oxobutanoate | C12H13ClO3

Ethyl 4-(2-chlorophenyl)-4-oxobutanoate

  • Molecular FormulaC12H13ClO3
  • Average mass240.683 Da
  • Monoisotopic mass240.055328 Da
  • ChemSpider ID21402536

More details:

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

4-(2-Chlorophényl)-4-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 2-chloro-γ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-(2-chlorophenyl)-4-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-(2-chlorphenyl)-4-oxobutanoat [German] [ACD/IUPAC Name]
898759-01-8 [RN]
Ethyl 4-(2-chlorophenyl)-4-oxobutyrate
ETHYL4-(2-CHLOROPHENYL)-4-OXOBUTYRATE
MFCD03844216 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 332.2±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 132.5±21.3 °C
Index of Refraction: 1.519
Molar Refractivity: 61.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.33
ACD/KOC (pH 5.5): 730.76
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.33
ACD/KOC (pH 7.4): 730.76
Polar Surface Area: 43 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 202.4±3.0 cm3

Click to predict properties on the Chemicalize site


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