ChemSpider 2D Image | Ethyl 3-[ethoxy(oxo)acetyl]benzoate | C13H14O5

Ethyl 3-[ethoxy(oxo)acetyl]benzoate

  • Molecular FormulaC13H14O5
  • Average mass250.247 Da
  • Monoisotopic mass250.084122 Da
  • ChemSpider ID21396719

More details:

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

3-(2-Éthoxy-2-oxoacétyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-(ethoxycarbonyl)-α-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-[ethoxy(oxo)acetyl]benzoate [ACD/IUPAC Name]
Ethyl-3-[ethoxy(oxo)acetyl]benzoat [German] [ACD/IUPAC Name]
[732249-84-2] [RN]
732249-84-2 [RN]
ethyl 3-(2-ethoxy-2-oxoacetyl)benzoate
Ethyl 3-carboethoxybenzoylformate
MFCD01319610 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 368.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.5±3.0 kJ/mol
Flash Point: 162.9±23.2 °C
Index of Refraction: 1.513
Molar Refractivity: 63.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.97
ACD/KOC (pH 5.5): 443.20
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.97
ACD/KOC (pH 7.4): 443.20
Polar Surface Area: 70 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 211.9±3.0 cm3

Click to predict properties on the Chemicalize site


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