methanol oxidane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational206.48kJ mol-1
Total (Trans. + Rot. + Vib.)216.40kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational61.09J mol-1 K-1
Total (Trans. + Rot. + Vib.)94.35J mol-1 K-1
Entropy
PropertyValueUnit
Translational157.54J mol-1 K-1
Rotational102.25J mol-1 K-1
Vibrational96.73J mol-1 K-1
Total (Trans. + Rot. + Vib.)356.52J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-446.79kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 35.67 cm-1 View
  • 2 62.62 cm-1 View
  • 3 84.42 cm-1 View
  • 4 103.00 cm-1 View
  • 5 150.13 cm-1 View
  • 6 221.72 cm-1 View
  • 7 354.13 cm-1 View
  • 8 990.86 cm-1 View
  • 9 1022.51 cm-1 View
  • 10 1164.42 cm-1 View
  • 11 1362.10 cm-1 View
  • 12 1365.97 cm-1 View
  • 13 1368.55 cm-1 View
  • 14 1407.83 cm-1 View
  • 15 1738.81 cm-1 View
  • 16 3035.44 cm-1 View
  • 17 3068.07 cm-1 View
  • 18 3139.62 cm-1 View
  • 19 3866.66 cm-1 View
  • 20 3873.84 cm-1 View
  • 21 3988.72 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-7.16kJ mol-1
Polar Solvation Energy-20.41kJ mol-1
Nonpolar Solvation Energy13.25kJ mol-1
Surface Area82.06Å2
Charge of Molecule0
Dipole1.29Debye