ChemSpider 2D Image | Ethyl 7-oxo-7-(4-pentylphenyl)heptanoate | C20H30O3

Ethyl 7-oxo-7-(4-pentylphenyl)heptanoate

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID21402323

More details:






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

7-Oxo-7-(4-pentylphényl)heptanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, ζ-oxo-4-pentyl-, ethyl ester [ACD/Index Name]
Ethyl 7-oxo-7-(4-pentylphenyl)heptanoate [ACD/IUPAC Name]
Ethyl-7-oxo-7-(4-pentylphenyl)heptanoat [German] [ACD/IUPAC Name]
898757-24-9 [RN]
ethyl 7-oxo-7-(4-n-pentylphenyl)heptanoate
MFCD02261402 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 433.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 186.6±26.8 °C
Index of Refraction: 1.495
Molar Refractivity: 93.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 14118.20
ACD/KOC (pH 5.5): 32508.74
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14118.20
ACD/KOC (pH 7.4): 32508.74
Polar Surface Area: 43 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 322.3±3.0 cm3

Click to predict properties on the Chemicalize site






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