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ChemSpider 2D Image | Ethyl 7-oxo-7-(3-phenoxyphenyl)heptanoate | C21H24O4

Ethyl 7-oxo-7-(3-phenoxyphenyl)heptanoate

  • Molecular FormulaC21H24O4
  • Average mass340.413 Da
  • Monoisotopic mass340.167450 Da
  • ChemSpider ID21402136

More details:

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

7-Oxo-7-(3-phénoxyphényl)heptanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, ζ-oxo-3-phenoxy-, ethyl ester [ACD/Index Name]
Ethyl 7-oxo-7-(3-phenoxyphenyl)heptanoate [ACD/IUPAC Name]
Ethyl-7-oxo-7-(3-phenoxyphenyl)heptanoat [German] [ACD/IUPAC Name]
898752-70-0 [RN]
MFCD02261451 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 467.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 203.2±24.6 °C
Index of Refraction: 1.537
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2560.02
ACD/KOC (pH 5.5): 9576.71
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2560.02
ACD/KOC (pH 7.4): 9576.71
Polar Surface Area: 53 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 310.6±3.0 cm3

Click to predict properties on the Chemicalize site