2-methylpropanoic acid

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational320.83kJ mol-1
Total (Trans. + Rot. + Vib.)330.75kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational79.90J mol-1 K-1
Total (Trans. + Rot. + Vib.)113.16J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.59J mol-1 K-1
Rotational111.67J mol-1 K-1
Vibrational75.55J mol-1 K-1
Total (Trans. + Rot. + Vib.)351.81J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-465.35kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 28.56 cm-1 View
  • 2 177.50 cm-1 View
  • 3 192.20 cm-1 View
  • 4 247.94 cm-1 View
  • 5 284.73 cm-1 View
  • 6 331.84 cm-1 View
  • 7 452.04 cm-1 View
  • 8 534.45 cm-1 View
  • 9 569.30 cm-1 View
  • 10 700.10 cm-1 View
  • 11 839.71 cm-1 View
  • 12 955.22 cm-1 View
  • 13 967.45 cm-1 View
  • 14 978.40 cm-1 View
  • 15 1095.88 cm-1 View
  • 16 1115.90 cm-1 View
  • 17 1153.65 cm-1 View
  • 18 1233.91 cm-1 View
  • 19 1268.41 cm-1 View
  • 20 1289.61 cm-1 View
  • 21 1395.21 cm-1 View
  • 22 1399.40 cm-1 View
  • 23 1401.06 cm-1 View
  • 24 1405.37 cm-1 View
  • 25 1405.48 cm-1 View
  • 26 1406.80 cm-1 View
  • 27 1448.27 cm-1 View
  • 28 1977.34 cm-1 View
  • 29 2874.25 cm-1 View
  • 30 3081.15 cm-1 View
  • 31 3082.38 cm-1 View
  • 32 3086.12 cm-1 View
  • 33 3087.57 cm-1 View
  • 34 3179.25 cm-1 View
  • 35 3180.50 cm-1 View
  • 36 3851.38 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-3.75kJ mol-1
Polar Solvation Energy-18.00kJ mol-1
Nonpolar Solvation Energy14.21kJ mol-1
Surface Area98.71Å2
Charge of Molecule0
Dipole2.19Debye