ChemSpider 2D Image | Ethyl 5-oxo-5-(2,3,4-trimethoxyphenyl)pentanoate | C16H22O6

Ethyl 5-oxo-5-(2,3,4-trimethoxyphenyl)pentanoate

  • Molecular FormulaC16H22O6
  • Average mass310.342 Da
  • Monoisotopic mass310.141632 Da
  • ChemSpider ID21402472

More details:

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

5-Oxo-5-(2,3,4-triméthoxyphényl)pentanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepentanoic acid, 2,3,4-trimethoxy-δ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 5-oxo-5-(2,3,4-trimethoxyphenyl)pentanoate [ACD/IUPAC Name]
Ethyl-5-oxo-5-(2,3,4-trimethoxyphenyl)pentanoat [German] [ACD/IUPAC Name]
854859-30-6 [RN]
Ethyl 5-(2,3,4-trimethoxyphenyl)-5-oxovalerate
Ethyl5-(2,3,4-trimethoxyphenyl)-5-oxovalerate
MFCD09801965 [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: 434.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 190.7±28.8 °C
Index of Refraction: 1.494
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.41
ACD/KOC (pH 5.5): 419.69
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.41
ACD/KOC (pH 7.4): 419.69
Polar Surface Area: 71 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 279.0±3.0 cm3

Click to predict properties on the Chemicalize site


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