oxidane methanol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational206.86kJ mol-1
Total (Trans. + Rot. + Vib.)216.77kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational60.02J mol-1 K-1
Total (Trans. + Rot. + Vib.)93.28J mol-1 K-1
Entropy
PropertyValueUnit
Translational157.54J mol-1 K-1
Rotational100.34J mol-1 K-1
Vibrational90.00J mol-1 K-1
Total (Trans. + Rot. + Vib.)347.88J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-447.11kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 36.92 cm-1 View
  • 2 66.42 cm-1 View
  • 3 103.27 cm-1 View
  • 4 113.37 cm-1 View
  • 5 179.80 cm-1 View
  • 6 254.45 cm-1 View
  • 7 420.54 cm-1 View
  • 8 993.26 cm-1 View
  • 9 1021.41 cm-1 View
  • 10 1163.48 cm-1 View
  • 11 1362.99 cm-1 View
  • 12 1365.20 cm-1 View
  • 13 1368.31 cm-1 View
  • 14 1406.81 cm-1 View
  • 15 1743.15 cm-1 View
  • 16 3038.44 cm-1 View
  • 17 3069.93 cm-1 View
  • 18 3140.66 cm-1 View
  • 19 3860.28 cm-1 View
  • 20 3876.68 cm-1 View
  • 21 3983.43 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-4.41kJ mol-1
Polar Solvation Energy-18.23kJ mol-1
Nonpolar Solvation Energy13.79kJ mol-1
Surface Area80.45Å2
Charge of Molecule0
Dipole1.35Debye