ChemSpider 2D Image | Ethyl 4-[3-(2,6-dimethylphenyl)propanoyl]benzoate | C20H22O3

Ethyl 4-[3-(2,6-dimethylphenyl)propanoyl]benzoate

  • Molecular FormulaC20H22O3
  • Average mass310.387 Da
  • Monoisotopic mass310.156891 Da
  • ChemSpider ID21401119

More details:






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

4-[3-(2,6-Diméthylphényl)propanoyl]benzoate d'éthyle [French] [ACD/IUPAC Name]
898754-55-7 [RN]
Benzoic acid, 4-[3-(2,6-dimethylphenyl)-1-oxopropyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-[3-(2,6-dimethylphenyl)-1-oxopropyl]benzoate
Ethyl 4-[3-(2,6-dimethylphenyl)propanoyl]benzoate [ACD/IUPAC Name]
Ethyl-4-[3-(2,6-dimethylphenyl)propanoyl]benzoat [German] [ACD/IUPAC Name]
4'-carboethoxy-3-(2,6-dimethylphenyl)propiophenone
4-carboethoxy-3-(2,6-dimethylphenyl)propiophenone
MFCD03843775 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 465.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 204.0±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: 5.69
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6329.10
ACD/KOC (pH 5.5): 18305.95
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6329.10
ACD/KOC (pH 7.4): 18305.95
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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