Aziridine

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational181.23kJ mol-1
Total (Trans. + Rot. + Vib.)191.15kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational17.24J mol-1 K-1
Total (Trans. + Rot. + Vib.)50.50J mol-1 K-1
Entropy
PropertyValueUnit
Translational155.67J mol-1 K-1
Rotational89.94J mol-1 K-1
Vibrational4.42J mol-1 K-1
Total (Trans. + Rot. + Vib.)250.02J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation132.18kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 797.08 cm-1 View
  • 2 869.91 cm-1 View
  • 3 919.55 cm-1 View
  • 4 929.59 cm-1 View
  • 5 959.41 cm-1 View
  • 6 1029.44 cm-1 View
  • 7 1144.94 cm-1 View
  • 8 1157.79 cm-1 View
  • 9 1185.25 cm-1 View
  • 10 1193.94 cm-1 View
  • 11 1324.58 cm-1 View
  • 12 1381.08 cm-1 View
  • 13 1529.10 cm-1 View
  • 14 3044.07 cm-1 View
  • 15 3058.25 cm-1 View
  • 16 3085.63 cm-1 View
  • 17 3086.51 cm-1 View
  • 18 3422.71 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-2.94kJ mol-1
Polar Solvation Energy-11.19kJ mol-1
Nonpolar Solvation Energy8.23kJ mol-1
Surface Area66.63Å2
Charge of Molecule0
Dipole1.93Debye