oxidane hydrogen hydrogen

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational97.45kJ mol-1
Total (Trans. + Rot. + Vib.)107.37kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational4.92J mol-1 K-1
Total (Trans. + Rot. + Vib.)38.18J mol-1 K-1
Entropy
PropertyValueUnit
Translational146.12J mol-1 K-1
Rotational62.43J mol-1 K-1
Vibrational1.03J mol-1 K-1
Total (Trans. + Rot. + Vib.)209.58J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation162.47kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 1142.77 cm-1 View
  • 2 1142.77 cm-1 View
  • 3 1169.80 cm-1 View
  • 4 1169.86 cm-1 View
  • 5 1169.92 cm-1 View
  • 6 2361.99 cm-1 View
  • 7 2362.26 cm-1 View
  • 8 2362.74 cm-1 View
  • 9 3367.33 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy4.80kJ mol-1
Polar Solvation Energy-0.01kJ mol-1
Nonpolar Solvation Energy4.81kJ mol-1
Surface Area46.61Å2
Charge of Molecule0
Dipole0.00Debye