ChemSpider 2D Image | Ethyl 7-(3,4-dimethylphenyl)-7-oxoheptanoate | C17H24O3

Ethyl 7-(3,4-dimethylphenyl)-7-oxoheptanoate

  • Molecular FormulaC17H24O3
  • Average mass276.371 Da
  • Monoisotopic mass276.172546 Da
  • ChemSpider ID21402066

More details:

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

7-(3,4-Diméthylphényl)-7-oxoheptanoate d'éthyle [French] [ACD/IUPAC Name]
898793-12-9 [RN]
Benzeneheptanoic acid, 3,4-dimethyl-ζ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 7-(3,4-dimethylphenyl)-7-oxoheptanoate [ACD/IUPAC Name]
Ethyl-7-(3,4-dimethylphenyl)-7-oxoheptanoat [German] [ACD/IUPAC Name]
ETHYL7-(3,4-DIMETHYLPHENYL)-7-OXOHEPTANOATE
MFCD01320199 [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: 396.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 172.5±24.6 °C
Index of Refraction: 1.500
Molar Refractivity: 80.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 726.03
ACD/KOC (pH 5.5): 3885.73
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 726.03
ACD/KOC (pH 7.4): 3885.73
Polar Surface Area: 43 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 272.5±3.0 cm3

Click to predict properties on the Chemicalize site


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