oxolane hydrogen hydrogen

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational280.64kJ mol-1
Total (Trans. + Rot. + Vib.)290.56kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational81.42J mol-1 K-1
Total (Trans. + Rot. + Vib.)114.68J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.09J mol-1 K-1
Rotational105.78J mol-1 K-1
Vibrational97.46J mol-1 K-1
Total (Trans. + Rot. + Vib.)365.33J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-43.86kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 33.68 cm-1 View
  • 2 44.87 cm-1 View
  • 3 130.44 cm-1 View
  • 4 155.06 cm-1 View
  • 5 173.89 cm-1 View
  • 6 216.61 cm-1 View
  • 7 408.57 cm-1 View
  • 8 701.92 cm-1 View
  • 9 755.35 cm-1 View
  • 10 810.13 cm-1 View
  • 11 865.05 cm-1 View
  • 12 870.74 cm-1 View
  • 13 926.07 cm-1 View
  • 14 992.05 cm-1 View
  • 15 998.78 cm-1 View
  • 16 1071.67 cm-1 View
  • 17 1085.14 cm-1 View
  • 18 1100.31 cm-1 View
  • 19 1106.03 cm-1 View
  • 20 1211.19 cm-1 View
  • 21 1276.72 cm-1 View
  • 22 1331.76 cm-1 View
  • 23 1375.70 cm-1 View
  • 24 1382.42 cm-1 View
  • 25 1423.92 cm-1 View
  • 26 1567.98 cm-1 View
  • 27 2984.33 cm-1 View
  • 28 2993.07 cm-1 View
  • 29 3006.85 cm-1 View
  • 30 3046.52 cm-1 View
  • 31 3069.31 cm-1 View
  • 32 3080.51 cm-1 View
  • 33 4457.23 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-2.63kJ mol-1
Polar Solvation Energy-16.84kJ mol-1
Nonpolar Solvation Energy14.21kJ mol-1
Surface Area100.63Å2
Charge of Molecule0
Dipole3.65Debye