Methanediamine

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational213.64kJ mol-1
Total (Trans. + Rot. + Vib.)223.55kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational33.63J mol-1 K-1
Total (Trans. + Rot. + Vib.)66.89J mol-1 K-1
Entropy
PropertyValueUnit
Translational156.51J mol-1 K-1
Rotational93.48J mol-1 K-1
Vibrational23.65J mol-1 K-1
Total (Trans. + Rot. + Vib.)273.64J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-5.96kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 166.08 cm-1 View
  • 2 266.66 cm-1 View
  • 3 438.17 cm-1 View
  • 4 841.83 cm-1 View
  • 5 972.08 cm-1 View
  • 6 998.75 cm-1 View
  • 7 1055.75 cm-1 View
  • 8 1061.77 cm-1 View
  • 9 1141.10 cm-1 View
  • 10 1171.43 cm-1 View
  • 11 1197.98 cm-1 View
  • 12 1298.36 cm-1 View
  • 13 1367.36 cm-1 View
  • 14 1663.73 cm-1 View
  • 15 1673.56 cm-1 View
  • 16 2901.85 cm-1 View
  • 17 2965.37 cm-1 View
  • 18 3381.97 cm-1 View
  • 19 3391.03 cm-1 View
  • 20 3517.02 cm-1 View
  • 21 3526.08 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-2.12kJ mol-1
Polar Solvation Energy-13.33kJ mol-1
Nonpolar Solvation Energy11.20kJ mol-1
Surface Area71.07Å2
Charge of Molecule0
Dipole1.75Debye