ChemSpider 2D Image | Ethyl 7-oxo-7-[4-(pentyloxy)phenyl]heptanoate | C20H30O4

Ethyl 7-oxo-7-[4-(pentyloxy)phenyl]heptanoate

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID21402349

More details:






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

7-Oxo-7-[4-(pentyloxy)phényl]heptanoate d'éthyle [French] [ACD/IUPAC Name]
898757-83-0 [RN]
Benzeneheptanoic acid, ζ-oxo-4-(pentyloxy)-, ethyl ester [ACD/Index Name]
Ethyl 7-oxo-7-[4-(pentyloxy)phenyl]heptanoate [ACD/IUPAC Name]
Ethyl-7-oxo-7-[4-(pentyloxy)phenyl]heptanoat [German] [ACD/IUPAC Name]
ethyl 7-oxo-7-(4-pentyloxyphenyl )heptanoate
ethyl 7-oxo-7-(4-pentyloxyphenyl)heptanoate
ethyl7-oxo-7-(4-pentyloxyphenyl)heptanoate
MFCD02261437 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 450.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 194.4±23.2 °C
Index of Refraction: 1.492
Molar Refractivity: 95.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7892.03
ACD/KOC (pH 5.5): 21438.69
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7892.03
ACD/KOC (pH 7.4): 21438.69
Polar Surface Area: 53 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 330.0±3.0 cm3

Click to predict properties on the Chemicalize site






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