ChemSpider 2D Image | Ethyl 6-(2,5-dimethylphenyl)-6-oxohexanoate | C16H22O3

Ethyl 6-(2,5-dimethylphenyl)-6-oxohexanoate

  • Molecular FormulaC16H22O3
  • Average mass262.344 Da
  • Monoisotopic mass262.156891 Da
  • ChemSpider ID21402056

More details:

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

6-(2,5-Diméthylphényl)-6-oxohexanoate d'éthyle [French] [ACD/IUPAC Name]
898792-82-0 [RN]
Benzenehexanoic acid, 2,5-dimethyl-ε-oxo-, ethyl ester [ACD/Index Name]
Ethyl 6-(2,5-dimethylphenyl)-6-oxohexanoate [ACD/IUPAC Name]
Ethyl-6-(2,5-dimethylphenyl)-6-oxohexanoat [German] [ACD/IUPAC Name]
ETHYL6-(2,5-DIMETHYLPHENYL)-6-OXOHEXANOATE
MFCD01320190 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 375.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 163.1±24.6 °C
Index of Refraction: 1.502
Molar Refractivity: 75.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 477.67
ACD/KOC (pH 5.5): 2879.56
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 477.67
ACD/KOC (pH 7.4): 2879.56
Polar Surface Area: 43 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 256.0±3.0 cm3

Click to predict properties on the Chemicalize site


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