1-methylpyrrolidin-2-one

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational365.05kJ mol-1
Total (Trans. + Rot. + Vib.)374.97kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational83.25J mol-1 K-1
Total (Trans. + Rot. + Vib.)116.51J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.06J mol-1 K-1
Rotational114.02J mol-1 K-1
Vibrational69.87J mol-1 K-1
Total (Trans. + Rot. + Vib.)349.96J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-217.06kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 82.99 cm-1 View
  • 2 103.26 cm-1 View
  • 3 138.11 cm-1 View
  • 4 259.38 cm-1 View
  • 5 318.08 cm-1 View
  • 6 461.83 cm-1 View
  • 7 558.67 cm-1 View
  • 8 573.43 cm-1 View
  • 9 648.39 cm-1 View
  • 10 780.66 cm-1 View
  • 11 844.99 cm-1 View
  • 12 889.93 cm-1 View
  • 13 943.20 cm-1 View
  • 14 986.62 cm-1 View
  • 15 1007.43 cm-1 View
  • 16 1028.02 cm-1 View
  • 17 1054.31 cm-1 View
  • 18 1084.97 cm-1 View
  • 19 1105.96 cm-1 View
  • 20 1115.50 cm-1 View
  • 21 1130.34 cm-1 View
  • 22 1178.86 cm-1 View
  • 23 1269.31 cm-1 View
  • 24 1302.83 cm-1 View
  • 25 1314.37 cm-1 View
  • 26 1325.65 cm-1 View
  • 27 1371.54 cm-1 View
  • 28 1375.31 cm-1 View
  • 29 1384.84 cm-1 View
  • 30 1393.12 cm-1 View
  • 31 1410.07 cm-1 View
  • 32 1424.00 cm-1 View
  • 33 1963.47 cm-1 View
  • 34 2936.45 cm-1 View
  • 35 2975.75 cm-1 View
  • 36 2989.55 cm-1 View
  • 37 3012.43 cm-1 View
  • 38 3039.47 cm-1 View
  • 39 3062.75 cm-1 View
  • 40 3065.66 cm-1 View
  • 41 3067.63 cm-1 View
  • 42 3131.67 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-4.41kJ mol-1
Polar Solvation Energy-20.54kJ mol-1
Nonpolar Solvation Energy16.13kJ mol-1
Surface Area102.62Å2
Charge of Molecule0
Dipole4.19Debye