Oxalonitrile

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational291.03kJ mol-1
Total (Trans. + Rot. + Vib.)300.94kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational53.33J mol-1 K-1
Total (Trans. + Rot. + Vib.)86.59J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.82J mol-1 K-1
Rotational101.71J mol-1 K-1
Vibrational44.02J mol-1 K-1
Total (Trans. + Rot. + Vib.)305.55J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-15.36kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 99.58 cm-1 View
  • 2 205.39 cm-1 View
  • 3 219.97 cm-1 View
  • 4 327.22 cm-1 View
  • 5 471.83 cm-1 View
  • 6 791.03 cm-1 View
  • 7 922.24 cm-1 View
  • 8 959.21 cm-1 View
  • 9 1019.60 cm-1 View
  • 10 1089.92 cm-1 View
  • 11 1089.97 cm-1 View
  • 12 1119.95 cm-1 View
  • 13 1153.20 cm-1 View
  • 14 1168.50 cm-1 View
  • 15 1175.02 cm-1 View
  • 16 1212.16 cm-1 View
  • 17 1273.74 cm-1 View
  • 18 1371.52 cm-1 View
  • 19 1380.83 cm-1 View
  • 20 1395.58 cm-1 View
  • 21 1669.26 cm-1 View
  • 22 1671.32 cm-1 View
  • 23 2900.11 cm-1 View
  • 24 2912.27 cm-1 View
  • 25 2990.99 cm-1 View
  • 26 2992.93 cm-1 View
  • 27 3387.80 cm-1 View
  • 28 3387.82 cm-1 View
  • 29 3523.05 cm-1 View
  • 30 3523.09 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-3.64kJ mol-1
Polar Solvation Energy-17.13kJ mol-1
Nonpolar Solvation Energy13.46kJ mol-1
Surface Area88.50Å2
Charge of Molecule0
Dipole2.48Debye