ChemSpider 2D Image | 2-[2-(Diethylamino)ethoxy]ethyl 2-phenyl(3,3,4,4,4-~2~H_5_)butanoate | C18H24D5NO3

2-[2-(Diethylamino)ethoxy]ethyl 2-phenyl(3,3,4,4,4-2H5)butanoate

  • Molecular FormulaC18H24D5NO3
  • Average mass312.459 Da
  • Monoisotopic mass312.246124 Da
  • ChemSpider ID78057710
  • Non-standard isotope - Non-standard isotope


More details:






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

2-[2-(Diethylamino)ethoxy]ethyl 2-phenyl(3,3,4,4,4-2H5)butanoate [ACD/IUPAC Name]
2-[2-(Diethylamino)ethoxy]ethyl-2-phenyl(3,3,4,4,4-2H5)butanoat [German] [ACD/IUPAC Name]
2-Phényl(3,3,4,4,4-2H5)butanoate de 2-[2-(diéthylamino)éthoxy]éthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(ethyl-d5)-, 2-[2-(diethylamino)ethoxy]ethyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 394.4±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 192.3±22.3 °C
Index of Refraction: 1.498
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.55
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 10.78
Polar Surface Area: 39 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 305.2±3.0 cm3

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