ChemSpider 2D Image | Ethyl 3-[3-(2,5-dimethylphenyl)propanoyl]benzoate | C20H22O3

Ethyl 3-[3-(2,5-dimethylphenyl)propanoyl]benzoate

  • Molecular FormulaC20H22O3
  • Average mass310.387 Da
  • Monoisotopic mass310.156891 Da
  • ChemSpider ID21401065

More details:

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

3-[3-(2,5-Diméthylphényl)propanoyl]benzoate d'éthyle [French] [ACD/IUPAC Name]
3'-carboethoxy-3-(2,5-dimethylphenyl)propiophenone
898794-94-0 [RN]
Benzoic acid, 3-[3-(2,5-dimethylphenyl)-1-oxopropyl]-, ethyl ester [ACD/Index Name]
Ethyl 3-[3-(2,5-dimethylphenyl)-1-oxopropyl]benzoate
Ethyl 3-[3-(2,5-dimethylphenyl)propanoyl]benzoate [ACD/IUPAC Name]
Ethyl-3-[3-(2,5-dimethylphenyl)propanoyl]benzoat [German] [ACD/IUPAC Name]
3-carboethoxy-3-(2,5-dimethylphenyl)propiophenone
MFCD03843722 [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: 462.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 202.6±28.8 °C
Index of Refraction: 1.555
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5582.56
ACD/KOC (pH 5.5): 16733.05
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5582.56
ACD/KOC (pH 7.4): 16733.05
Polar Surface Area: 43 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 285.1±3.0 cm3

Click to predict properties on the Chemicalize site


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