ChemSpider 2D Image | Ethyl 4-oxo-4-(2,3,4-trimethoxyphenyl)butanoate | C15H20O6

Ethyl 4-oxo-4-(2,3,4-trimethoxyphenyl)butanoate

  • Molecular FormulaC15H20O6
  • Average mass296.316 Da
  • Monoisotopic mass296.125977 Da
  • ChemSpider ID21402471

More details:

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

4-Oxo-4-(2,3,4-triméthoxyphényl)butanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 2,3,4-trimethoxy-γ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-oxo-4-(2,3,4-trimethoxyphenyl)butanoate [ACD/IUPAC Name]
Ethyl-4-oxo-4-(2,3,4-trimethoxyphenyl)butanoat [German] [ACD/IUPAC Name]
102222-55-9 [RN]
Ethyl 4-(2,3,4-trimethoxyphenyl)-4-oxobutanoate
MFCD09801964 [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: 422.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 186.1±28.8 °C
Index of Refraction: 1.496
Molar Refractivity: 76.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.90
ACD/KOC (pH 5.5): 306.55
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.90
ACD/KOC (pH 7.4): 306.55
Polar Surface Area: 71 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 262.5±3.0 cm3

Click to predict properties on the Chemicalize site


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