ChemSpider 2D Image | Ethyl 4-oxo-1-(3,3,5,5-~2~H_4_)piperidinecarboxylate | C8H9D4NO3

Ethyl 4-oxo-1-(3,3,5,5-2H4)piperidinecarboxylate

  • Molecular FormulaC8H9D4NO3
  • Average mass175.218 Da
  • Monoisotopic mass175.114655 Da
  • ChemSpider ID60498071

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Piperidine-3,3,5,5-d4-carboxylic acid, 4-oxo-, ethyl ester [ACD/Index Name]
4-Oxo-1-(3,3,5,5-2H4)pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-oxo-1-(3,3,5,5-2H4)piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-oxo-1-(3,3,5,5-2H4)piperidincarboxylat [German] [ACD/IUPAC Name]
1-Ethoxycarbonyl-4-piperidone-3,3,5,5-d4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 273.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.2±3.0 kJ/mol
Flash Point: 87.8±0.0 °C
Index of Refraction: 1.483
Molar Refractivity: 42.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.88
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.88
Polar Surface Area: 47 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 148.1±3.0 cm3

Click to predict properties on the Chemicalize site


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