oxidane oxidane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational74.55kJ mol-1
Total (Trans. + Rot. + Vib.)84.46kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational5.89J mol-1 K-1
Total (Trans. + Rot. + Vib.)39.14J mol-1 K-1
Entropy
PropertyValueUnit
Translational152.73J mol-1 K-1
Rotational77.35J mol-1 K-1
Vibrational1.82J mol-1 K-1
Total (Trans. + Rot. + Vib.)231.90J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation31.75kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 691.74 cm-1 View
  • 2 1069.40 cm-1 View
  • 3 1185.93 cm-1 View
  • 4 1676.18 cm-1 View
  • 5 3810.37 cm-1 View
  • 6 3957.36 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-35.22kJ mol-1
Polar Solvation Energy-42.38kJ mol-1
Nonpolar Solvation Energy7.15kJ mol-1
Surface Area55.27Å2
Charge of Molecule0
Dipole4.25Debye