ChemSpider 2D Image | Ethyl 7-[4-(diethylamino)phenyl]-7-oxoheptanoate | C19H29NO3

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

  • Molecular FormulaC19H29NO3
  • Average mass319.439 Da
  • Monoisotopic mass319.214752 Da
  • ChemSpider ID21402414

More details:

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

7-[4-(Diéthylamino)phényl]-7-oxoheptanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, 4-(diethylamino)-ζ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 7-[4-(diethylamino)phenyl]-7-oxoheptanoate [ACD/IUPAC Name]
Ethyl-7-[4-(diethylamino)phenyl]-7-oxoheptanoat [German] [ACD/IUPAC Name]
951886-13-8 [RN]
97%
Ethyl 7-(4-(diethylamino)phenyl)-7-oxoheptanoate
Ethyl 7-[4-(N,N-Diethylamino)phenyl]-7-oxoheptanoate
MFCD09801912 [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: 446.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 224.0±24.6 °C
Index of Refraction: 1.517
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 954.83
ACD/KOC (pH 5.5): 4697.48
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 976.21
ACD/KOC (pH 7.4): 4802.64
Polar Surface Area: 47 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 311.0±3.0 cm3

Click to predict properties on the Chemicalize site


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