ChemSpider 2D Image | Ethyl 7-[4-(heptyloxy)phenyl]-7-oxoheptanoate | C22H34O4

Ethyl 7-[4-(heptyloxy)phenyl]-7-oxoheptanoate

  • Molecular FormulaC22H34O4
  • Average mass362.503 Da
  • Monoisotopic mass362.245697 Da
  • ChemSpider ID21402358

More details:






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

7-[4-(Heptyloxy)phényl]-7-oxoheptanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, 4-(heptyloxy)-ζ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 7-[4-(heptyloxy)phenyl]-7-oxoheptanoate [ACD/IUPAC Name]
Ethyl-7-[4-(heptyloxy)phenyl]-7-oxoheptanoat [German] [ACD/IUPAC Name]
898758-01-5 [RN]
ethyl 7-(4-heptoxyphenyl)-7-oxoheptanoate
ethyl 7-(4-heptyloxyphenyl)-7-oxoheptanoate
ETHYL7-(4-HEPTYLOXYPHENYL)-7-OXOHEPTANOATE
MFCD02261470 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 476.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 203.8±23.2 °C
Index of Refraction: 1.490
Molar Refractivity: 105.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 6.44
ACD/BCF (pH 5.5): 45815.82
ACD/KOC (pH 5.5): 75498.33
ACD/LogD (pH 7.4): 6.44
ACD/BCF (pH 7.4): 45815.82
ACD/KOC (pH 7.4): 75498.33
Polar Surface Area: 53 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 363.0±3.0 cm3

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