ChemSpider 2D Image | Ethyl 8-[4-(diethylamino)phenyl]-8-oxooctanoate | C20H31NO3

Ethyl 8-[4-(diethylamino)phenyl]-8-oxooctanoate

  • Molecular FormulaC20H31NO3
  • Average mass333.465 Da
  • Monoisotopic mass333.230408 Da
  • ChemSpider ID21402415

More details:

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

8-[4-(Diéthylamino)phényl]-8-oxooctanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, 4-(diethylamino)-η-oxo-, ethyl ester [ACD/Index Name]
Ethyl 8-[4-(diethylamino)phenyl]-8-oxooctanoate [ACD/IUPAC Name]
Ethyl-8-[4-(diethylamino)phenyl]-8-oxooctanoat [German] [ACD/IUPAC Name]
951886-16-1 [RN]
Ethyl 8-(4-(diethylamino)phenyl)-8-oxooctanoate
Ethyl 8-[4-(N,N-Diethylamino)phenyl]-8-oxooctanoate
MFCD09801913 [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: 459.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.7±24.6 °C
Index of Refraction: 1.515
Molar Refractivity: 98.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1828.07
ACD/KOC (pH 5.5): 7476.67
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1869.83
ACD/KOC (pH 7.4): 7647.45
Polar Surface Area: 47 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 327.5±3.0 cm3

Click to predict properties on the Chemicalize site


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