ChemSpider 2D Image | Ethyl 3-(3-phenylpropanoyl)benzoate | C18H18O3

Ethyl 3-(3-phenylpropanoyl)benzoate

  • Molecular FormulaC18H18O3
  • Average mass282.334 Da
  • Monoisotopic mass282.125580 Da
  • ChemSpider ID21400298

More details:

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

3-(3-Phénylpropanoyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(1-oxo-3-phenylpropyl)-, ethyl ester [ACD/Index Name]
Ethyl 3-(3-phenylpropanoyl)benzoate [ACD/IUPAC Name]
Ethyl-3-(3-phenylpropanoyl)benzoat [German] [ACD/IUPAC Name]
[898764-12-0] [RN]
3-carboethoxy-3-phenylpropiophenone
3'-Carboethoxy-3-phenylpropiophenone
898764-12-0 [RN]
MFCD03842922 [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: 432.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 191.0±26.8 °C
Index of Refraction: 1.561
Molar Refractivity: 81.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 990.20
ACD/KOC (pH 5.5): 4852.19
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 990.20
ACD/KOC (pH 7.4): 4852.19
Polar Surface Area: 43 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 252.6±3.0 cm3

Click to predict properties on the Chemicalize site


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