ChemSpider 2D Image | Ethyl 4-[3-(3-methylphenyl)propanoyl]benzoate | C19H20O3

Ethyl 4-[3-(3-methylphenyl)propanoyl]benzoate

  • Molecular FormulaC19H20O3
  • Average mass296.360 Da
  • Monoisotopic mass296.141235 Da
  • ChemSpider ID21400396

More details:

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

4-[3-(3-Méthylphényl)propanoyl]benzoate d'éthyle [French] [ACD/IUPAC Name]
4'-carboethoxy-3-(3-methylphenyl)propiophenone
898790-53-9 [RN]
Benzoic acid, 4-[3-(3-methylphenyl)-1-oxopropyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-[3-(3-methylphenyl)propanoyl]benzoate [ACD/IUPAC Name]
Ethyl-4-[3-(3-methylphenyl)propanoyl]benzoat [German] [ACD/IUPAC Name]
4-carboethoxy-3-(3-methylphenyl)propiophenone
MFCD07699572 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 451.0±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 198.4±26.8 °C
Index of Refraction: 1.558
Molar Refractivity: 86.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3914.89
ACD/KOC (pH 5.5): 12979.64
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3914.89
ACD/KOC (pH 7.4): 12979.64
Polar Surface Area: 43 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 268.8±3.0 cm3

Click to predict properties on the Chemicalize site


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