ChemSpider 2D Image | Ethyl 7-(4-hexylphenyl)-7-oxoheptanoate | C21H32O3

Ethyl 7-(4-hexylphenyl)-7-oxoheptanoate

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID21402327

More details:

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

7-(4-Hexylphényl)-7-oxoheptanoate d'éthyle [French] [ACD/IUPAC Name]
898757-33-0 [RN]
Benzeneheptanoic acid, 4-hexyl-ζ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 7-(4-hexylphenyl)-7-oxoheptanoate [ACD/IUPAC Name]
Ethyl-7-(4-hexylphenyl)-7-oxoheptanoat [German] [ACD/IUPAC Name]
ETHYL7-(4-HEXYLPHENYL)-7-OXOHEPTANOATE
MFCD02261406 [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: 446.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 191.7±26.8 °C
Index of Refraction: 1.494
Molar Refractivity: 98.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29919.61
ACD/KOC (pH 5.5): 55651.11
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29919.61
ACD/KOC (pH 7.4): 55651.11
Polar Surface Area: 43 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 338.8±3.0 cm3

Click to predict properties on the Chemicalize site


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