ChemSpider 2D Image | Ethyl 7-(2-methylphenyl)-7-oxoheptanoate | C16H22O3

Ethyl 7-(2-methylphenyl)-7-oxoheptanoate

  • Molecular FormulaC16H22O3
  • Average mass262.344 Da
  • Monoisotopic mass262.156891 Da
  • ChemSpider ID21402082

More details:






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

7-(2-Méthylphényl)-7-oxoheptanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, 2-methyl-ζ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 7-(2-methylphenyl)-7-oxoheptanoate [ACD/IUPAC Name]
Ethyl-7-(2-methylphenyl)-7-oxoheptanoat [German] [ACD/IUPAC Name]
122115-55-3 [RN]
MFCD01320211 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 370.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 160.6±23.2 °C
Index of Refraction: 1.500
Molar Refractivity: 75.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 452.44
ACD/KOC (pH 5.5): 2769.82
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 452.44
ACD/KOC (pH 7.4): 2769.82
Polar Surface Area: 43 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 256.3±3.0 cm3

Click to predict properties on the Chemicalize site






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