ChemSpider 2D Image | 1-[(2,2,3,3-~2~H_4_)-3,4-Dihydro-2H-pyrrol-5-yl]ethanone | C6H5D4NO

1-[(2,2,3,3-2H4)-3,4-Dihydro-2H-pyrrol-5-yl]ethanone

  • Molecular FormulaC6H5D4NO
  • Average mass115.166 Da
  • Monoisotopic mass115.093521 Da
  • ChemSpider ID58779537

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[(2,2,3,3-2H4)-3,4-Dihydro-2H-pyrrol-5-yl]ethanon [German] [ACD/IUPAC Name]
1-[(2,2,3,3-2H4)-3,4-Dihydro-2H-pyrrol-5-yl]ethanone [ACD/IUPAC Name]
1-[(2,2,3,3-2H4)-3,4-Dihydro-2H-pyrrol-5-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(3,4-dihydro-3-d-2H-pyrrol-5-yl-2,2,3-d3)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 182.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.9±3.0 kJ/mol
Flash Point: 66.2±28.0 °C
Index of Refraction: 1.531
Molar Refractivity: 31.4±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.27
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.57
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 38.36
Polar Surface Area: 29 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 36.5±7.0 dyne/cm
Molar Volume: 101.4±7.0 cm3

Click to predict properties on the Chemicalize site


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