ChemSpider 2D Image | 3-(2,2,4,4,5,5-~2~H_6_)Pyrrolidinone | C4HD6NO

3-(2,2,4,4,5,5-2H6)Pyrrolidinone

  • Molecular FormulaC4HD6NO
  • Average mass91.142 Da
  • Monoisotopic mass91.090424 Da
  • ChemSpider ID111331303

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(2,2,4,4,5,5-2H6)Pyrrolidinon [German] [ACD/IUPAC Name]
3-(2,2,4,4,5,5-2H6)Pyrrolidinone [ACD/IUPAC Name]
3-(2,2,4,4,5,5-2H6)Pyrrolidinone [French] [ACD/IUPAC Name]
3-Pyrrolidinone-2,2,4,4,5,5-d6 [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 156.0±23.0 °C at 760 mmHg
Vapour Pressure: 2.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.3±3.0 kJ/mol
Flash Point: 79.9±22.8 °C
Index of Refraction: 1.452
Molar Refractivity: 21.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -2.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.53
Polar Surface Area: 29 Å2
Polarizability: 8.7±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 81.2±3.0 cm3

Click to predict properties on the Chemicalize site


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