ChemSpider 2D Image | Ethyl 3,4,5-trimethoxy-ζ-oxobenzeneheptanoate | C18H26O6

Ethyl 3,4,5-trimethoxy-ζ-oxobenzeneheptanoate

  • Molecular FormulaC18H26O6
  • Average mass338.395 Da
  • Monoisotopic mass338.172943 Da
  • ChemSpider ID21402464

More details:






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

7-Oxo-7-(3,4,5-triméthoxyphényl)heptanoate d'éthyle [French] [ACD/IUPAC Name]
951887-75-5 [RN]
Benzeneheptanoic acid, 3,4,5-trimethoxy-ζ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3,4,5-trimethoxy-ζ-oxobenzeneheptanoate
Ethyl 7-oxo-7-(3,4,5-trimethoxyphenyl)heptanoate [ACD/IUPAC Name]
Ethyl-7-oxo-7-(3,4,5-trimethoxyphenyl)heptanoat [German] [ACD/IUPAC Name]
Ethyl 7-(3,4,5-trimethoxyphenyl)-7-oxoheptanoate
MFCD09801957 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 446.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 194.0±28.8 °C
Index of Refraction: 1.492
Molar Refractivity: 90.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.77
ACD/KOC (pH 5.5): 911.52
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.77
ACD/KOC (pH 7.4): 911.52
Polar Surface Area: 71 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 312.0±3.0 cm3

Click to predict properties on the Chemicalize site






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