ChemSpider 2D Image | 1-[(E)-(2-~2~H_1_)Vinyl]-2-pyrrolidinone | C6H8DNO

1-[(E)-(2-2H1)Vinyl]-2-pyrrolidinone

  • Molecular FormulaC6H8DNO
  • Average mass112.148 Da
  • Monoisotopic mass112.074692 Da
  • ChemSpider ID74117932

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[(E)-(2-2H1)Vinyl]-2-pyrrolidinon [German] [ACD/IUPAC Name]
1-[(E)-(2-2H1)Vinyl]-2-pyrrolidinone [ACD/IUPAC Name]
1-[(E)-(2-2H1)Vinyl]-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-[(E)-ethenyl-2-d]- [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: 217.6±7.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.4±3.0 kJ/mol
Flash Point: 93.9±0.0 °C
Index of Refraction: 1.593
Molar Refractivity: 32.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 38.47
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 38.47
Polar Surface Area: 20 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 97.1±3.0 cm3

Click to predict properties on the Chemicalize site


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