ChemSpider 2D Image | Ethyl 6-(4-ethylphenyl)-6-oxohexanoate | C16H22O3

Ethyl 6-(4-ethylphenyl)-6-oxohexanoate

  • Molecular FormulaC16H22O3
  • Average mass262.344 Da
  • Monoisotopic mass262.156891 Da
  • ChemSpider ID21402309

More details:






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

6-(4-Éthylphényl)-6-oxohexanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenehexanoic acid, 4-ethyl-ε-oxo-, ethyl ester [ACD/Index Name]
Ethyl 6-(4-ethylphenyl)-6-oxohexanoate [ACD/IUPAC Name]
Ethyl-6-(4-ethylphenyl)-6-oxohexanoat [German] [ACD/IUPAC Name]
898778-26-2 [RN]
ETHYL6-(4-ETHYLPHENYL)-6-OXOHEXANOATE
MFCD02261376 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 378.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 164.7±26.0 °C
Index of Refraction: 1.500
Molar Refractivity: 75.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 576.36
ACD/KOC (pH 5.5): 3293.90
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 576.36
ACD/KOC (pH 7.4): 3293.90
Polar Surface Area: 43 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 256.3±3.0 cm3

Click to predict properties on the Chemicalize site






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