oxidane methanol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational206.76kJ mol-1
Total (Trans. + Rot. + Vib.)216.68kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational59.87J mol-1 K-1
Total (Trans. + Rot. + Vib.)93.13J mol-1 K-1
Entropy
PropertyValueUnit
Translational157.54J mol-1 K-1
Rotational100.91J mol-1 K-1
Vibrational80.43J mol-1 K-1
Total (Trans. + Rot. + Vib.)338.88J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-446.98kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 48.42 cm-1 View
  • 2 92.11 cm-1 View
  • 3 107.15 cm-1 View
  • 4 170.99 cm-1 View
  • 5 217.80 cm-1 View
  • 6 283.41 cm-1 View
  • 7 346.78 cm-1 View
  • 8 994.27 cm-1 View
  • 9 1022.67 cm-1 View
  • 10 1164.18 cm-1 View
  • 11 1364.50 cm-1 View
  • 12 1366.06 cm-1 View
  • 13 1373.45 cm-1 View
  • 14 1407.65 cm-1 View
  • 15 1745.01 cm-1 View
  • 16 3035.52 cm-1 View
  • 17 3067.14 cm-1 View
  • 18 3136.69 cm-1 View
  • 19 3850.18 cm-1 View
  • 20 3876.42 cm-1 View
  • 21 3974.30 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-5.00kJ mol-1
Polar Solvation Energy-19.34kJ mol-1
Nonpolar Solvation Energy14.30kJ mol-1
Surface Area75.06Å2
Charge of Molecule0
Dipole0.51Debye