ChemSpider 2D Image | 2-Methyl-2-propanyl 3-oxo-1-(~2~H_4_)azetidinecarboxylate | C8H9D4NO3

2-Methyl-2-propanyl 3-oxo-1-(2H4)azetidinecarboxylate

  • Molecular FormulaC8H9D4NO3
  • Average mass175.218 Da
  • Monoisotopic mass175.114655 Da
  • ChemSpider ID111331007

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Azetidine-2,2,4,4-d4-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-oxo-1-(2H4)azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-oxo-1-(2H4)azetidincarboxylat [German] [ACD/IUPAC Name]
3-Oxo-1-(2H4)azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 251.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.9±3.0 kJ/mol
Flash Point: 105.8±25.4 °C
Index of Refraction: 1.493
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: -0.34
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.20
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.20
Polar Surface Area: 47 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 145.7±3.0 cm3

Click to predict properties on the Chemicalize site


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