ChemSpider 2D Image | 3-Benzoyl-4-ethoxy-4-oxobutanoate | C13H13O5

3-Benzoyl-4-ethoxy-4-oxobutanoate

  • Molecular FormulaC13H13O5
  • Average mass249.240 Da
  • Monoisotopic mass249.076843 Da
  • ChemSpider ID57531120

  • Charge - Charge

More details:

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

3-Benzoyl-4-ethoxy-4-oxobutanoat [German] [ACD/IUPAC Name]
3-Benzoyl-4-ethoxy-4-oxobutanoate [ACD/IUPAC Name]
3-Benzoyl-4-éthoxy-4-oxobutanoate [French] [ACD/IUPAC Name]
Butanedioic acid, 2-benzoyl-, 1-ethyl ester, ion(1-) [ACD/Index Name]
90833-15-1 [RN]

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

Density:
Boiling Point: 416.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 157.8±19.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.73
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement