ChemSpider 2D Image | Diethyl [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]malonate | C22H23ClO5

Diethyl [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]malonate

  • Molecular FormulaC22H23ClO5
  • Average mass402.868 Da
  • Monoisotopic mass402.123413 Da
  • ChemSpider ID35807539

More details:

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

[3-(4-Chlorophényl)-3-oxo-1-phénylpropyl]malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]malonate [ACD/IUPAC Name]
Diethyl-[3-(4-chlorphenyl)-3-oxo-1-phenylpropyl]malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-, diethyl ester [ACD/Index Name]
PROPANEDIOIC ACID, [3-(4-CHLOROPHENYL)-3-OXO-1-PHENYLPROPYL]-, DIETHYLESTER

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

Density: 1.2±0.1 g/cm3
Boiling Point: 519.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 177.5±29.1 °C
Index of Refraction: 1.549
Molar Refractivity: 106.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2241.12
ACD/KOC (pH 5.5): 8706.80
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2241.04
ACD/KOC (pH 7.4): 8706.51
Polar Surface Area: 70 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 333.8±3.0 cm3

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