1-methylimidazole

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational258.17kJ mol-1
Total (Trans. + Rot. + Vib.)268.08kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational58.84J mol-1 K-1
Total (Trans. + Rot. + Vib.)92.10J mol-1 K-1
Entropy
PropertyValueUnit
Translational163.71J mol-1 K-1
Rotational107.95J mol-1 K-1
Vibrational45.15J mol-1 K-1
Total (Trans. + Rot. + Vib.)316.81J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation124.76kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 76.65 cm-1 View
  • 2 154.18 cm-1 View
  • 3 350.10 cm-1 View
  • 4 457.34 cm-1 View
  • 5 556.25 cm-1 View
  • 6 662.49 cm-1 View
  • 7 783.63 cm-1 View
  • 8 811.62 cm-1 View
  • 9 845.37 cm-1 View
  • 10 898.51 cm-1 View
  • 11 971.45 cm-1 View
  • 12 972.86 cm-1 View
  • 13 991.04 cm-1 View
  • 14 1054.24 cm-1 View
  • 15 1070.76 cm-1 View
  • 16 1125.69 cm-1 View
  • 17 1295.79 cm-1 View
  • 18 1366.37 cm-1 View
  • 19 1374.22 cm-1 View
  • 20 1386.34 cm-1 View
  • 21 1443.01 cm-1 View
  • 22 1522.53 cm-1 View
  • 23 1534.32 cm-1 View
  • 24 1628.18 cm-1 View
  • 25 3045.41 cm-1 View
  • 26 3061.62 cm-1 View
  • 27 3071.31 cm-1 View
  • 28 3116.77 cm-1 View
  • 29 3133.52 cm-1 View
  • 30 3135.25 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-16.76kJ mol-1
Polar Solvation Energy-27.36kJ mol-1
Nonpolar Solvation Energy10.62kJ mol-1
Surface Area90.61Å2
Charge of Molecule0
Dipole5.36Debye