ChemSpider 2D Image | Ethyl 5-[4-(heptyloxy)phenyl]-5-oxopentanoate | C20H30O4

Ethyl 5-[4-(heptyloxy)phenyl]-5-oxopentanoate

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID21402356

More details:

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

5-[4-(Heptyloxy)phényl]-5-oxopentanoate d'éthyle [French] [ACD/IUPAC Name]
898757-97-6 [RN]
Benzenepentanoic acid, 4-(heptyloxy)-δ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 5-[4-(heptyloxy)phenyl]-5-oxopentanoate [ACD/IUPAC Name]
Ethyl-5-[4-(heptyloxy)phenyl]-5-oxopentanoat [German] [ACD/IUPAC Name]
ethyl 5-(4-heptoxyphenyl)-5-oxopentanoate
ethyl 5-(4-heptyloxyphenyl)-5-oxovalerate
ETHYL5-(4-HEPTYLOXYPHENYL)-5-OXOVALERATE
MFCD02261466 [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: 456.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 197.1±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: 5.90
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19670.01
ACD/KOC (pH 5.5): 41218.46
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19670.01
ACD/KOC (pH 7.4): 41218.46
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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