Propanoic acid

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational243.41kJ mol-1
Total (Trans. + Rot. + Vib.)253.32kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational57.17J mol-1 K-1
Total (Trans. + Rot. + Vib.)90.43J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.43J mol-1 K-1
Rotational106.74J mol-1 K-1
Vibrational54.75J mol-1 K-1
Total (Trans. + Rot. + Vib.)323.92J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-444.45kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 31.87 cm-1 View
  • 2 179.18 cm-1 View
  • 3 266.99 cm-1 View
  • 4 397.02 cm-1 View
  • 5 476.64 cm-1 View
  • 6 531.65 cm-1 View
  • 7 633.16 cm-1 View
  • 8 838.94 cm-1 View
  • 9 878.46 cm-1 View
  • 10 1027.52 cm-1 View
  • 11 1065.97 cm-1 View
  • 12 1117.71 cm-1 View
  • 13 1137.96 cm-1 View
  • 14 1233.95 cm-1 View
  • 15 1286.33 cm-1 View
  • 16 1372.39 cm-1 View
  • 17 1401.14 cm-1 View
  • 18 1406.61 cm-1 View
  • 19 1411.15 cm-1 View
  • 20 1455.62 cm-1 View
  • 21 1978.48 cm-1 View
  • 22 2955.61 cm-1 View
  • 23 3031.87 cm-1 View
  • 24 3084.96 cm-1 View
  • 25 3086.31 cm-1 View
  • 26 3183.09 cm-1 View
  • 27 3851.93 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-7.00kJ mol-1
Polar Solvation Energy-19.14kJ mol-1
Nonpolar Solvation Energy12.16kJ mol-1
Surface Area89.91Å2
Charge of Molecule0
Dipole2.23Debye