(5r)-5-methyloxolan-2-one

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational336.44kJ mol-1
Total (Trans. + Rot. + Vib.)346.35kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational77.17J mol-1 K-1
Total (Trans. + Rot. + Vib.)110.43J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.19J mol-1 K-1
Rotational113.79J mol-1 K-1
Vibrational61.39J mol-1 K-1
Total (Trans. + Rot. + Vib.)341.37J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-408.62kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 77.10 cm-1 View
  • 2 122.07 cm-1 View
  • 3 180.38 cm-1 View
  • 4 344.95 cm-1 View
  • 5 444.55 cm-1 View
  • 6 468.57 cm-1 View
  • 7 534.58 cm-1 View
  • 8 623.93 cm-1 View
  • 9 706.00 cm-1 View
  • 10 818.98 cm-1 View
  • 11 917.19 cm-1 View
  • 12 934.34 cm-1 View
  • 13 963.37 cm-1 View
  • 14 975.08 cm-1 View
  • 15 1031.40 cm-1 View
  • 16 1045.01 cm-1 View
  • 17 1080.20 cm-1 View
  • 18 1094.96 cm-1 View
  • 19 1119.05 cm-1 View
  • 20 1144.11 cm-1 View
  • 21 1239.00 cm-1 View
  • 22 1258.32 cm-1 View
  • 23 1296.23 cm-1 View
  • 24 1327.00 cm-1 View
  • 25 1354.01 cm-1 View
  • 26 1393.59 cm-1 View
  • 27 1399.45 cm-1 View
  • 28 1405.19 cm-1 View
  • 29 1408.31 cm-1 View
  • 30 1422.08 cm-1 View
  • 31 2024.97 cm-1 View
  • 32 2901.08 cm-1 View
  • 33 2982.09 cm-1 View
  • 34 2996.08 cm-1 View
  • 35 3066.58 cm-1 View
  • 36 3070.73 cm-1 View
  • 37 3085.55 cm-1 View
  • 38 3090.12 cm-1 View
  • 39 3183.22 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-8.61kJ mol-1
Polar Solvation Energy-25.56kJ mol-1
Nonpolar Solvation Energy16.93kJ mol-1
Surface Area102.99Å2
Charge of Molecule0
Dipole5.31Debye