Propan-2-ol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational289.15kJ mol-1
Total (Trans. + Rot. + Vib.)299.07kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational54.07J mol-1 K-1
Total (Trans. + Rot. + Vib.)87.32J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.82J mol-1 K-1
Rotational102.08J mol-1 K-1
Vibrational37.91J mol-1 K-1
Total (Trans. + Rot. + Vib.)299.80J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-274.89kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 166.76 cm-1 View
  • 2 190.41 cm-1 View
  • 3 357.96 cm-1 View
  • 4 386.80 cm-1 View
  • 5 442.94 cm-1 View
  • 6 525.56 cm-1 View
  • 7 927.50 cm-1 View
  • 8 951.46 cm-1 View
  • 9 968.71 cm-1 View
  • 10 983.86 cm-1 View
  • 11 1069.97 cm-1 View
  • 12 1111.62 cm-1 View
  • 13 1132.12 cm-1 View
  • 14 1274.41 cm-1 View
  • 15 1339.68 cm-1 View
  • 16 1382.32 cm-1 View
  • 17 1398.58 cm-1 View
  • 18 1404.63 cm-1 View
  • 19 1407.25 cm-1 View
  • 20 1408.87 cm-1 View
  • 21 1410.69 cm-1 View
  • 22 1415.80 cm-1 View
  • 23 2916.75 cm-1 View
  • 24 3081.40 cm-1 View
  • 25 3081.74 cm-1 View
  • 26 3091.88 cm-1 View
  • 27 3092.72 cm-1 View
  • 28 3183.71 cm-1 View
  • 29 3184.65 cm-1 View
  • 30 3883.46 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy1.10kJ mol-1
Polar Solvation Energy-9.87kJ mol-1
Nonpolar Solvation Energy10.95kJ mol-1
Surface Area82.27Å2
Charge of Molecule0
Dipole1.84Debye