4-hydroxybenzoic acid

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational330.85kJ mol-1
Total (Trans. + Rot. + Vib.)340.77kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational110.59J mol-1 K-1
Total (Trans. + Rot. + Vib.)143.84J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.20J mol-1 K-1
Rotational123.34J mol-1 K-1
Vibrational95.82J mol-1 K-1
Total (Trans. + Rot. + Vib.)389.35J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-467.66kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 25.40 cm-1 View
  • 2 97.37 cm-1 View
  • 3 196.87 cm-1 View
  • 4 271.27 cm-1 View
  • 5 328.33 cm-1 View
  • 6 337.43 cm-1 View
  • 7 364.03 cm-1 View
  • 8 408.60 cm-1 View
  • 9 477.31 cm-1 View
  • 10 480.94 cm-1 View
  • 11 519.79 cm-1 View
  • 12 527.89 cm-1 View
  • 13 630.90 cm-1 View
  • 14 642.69 cm-1 View
  • 15 735.59 cm-1 View
  • 16 740.78 cm-1 View
  • 17 840.00 cm-1 View
  • 18 884.59 cm-1 View
  • 19 956.16 cm-1 View
  • 20 978.07 cm-1 View
  • 21 1001.89 cm-1 View
  • 22 1059.07 cm-1 View
  • 23 1144.86 cm-1 View
  • 24 1174.19 cm-1 View
  • 25 1208.40 cm-1 View
  • 26 1217.09 cm-1 View
  • 27 1227.19 cm-1 View
  • 28 1289.34 cm-1 View
  • 29 1384.61 cm-1 View
  • 30 1405.10 cm-1 View
  • 31 1498.98 cm-1 View
  • 32 1567.16 cm-1 View
  • 33 1637.59 cm-1 View
  • 34 1776.25 cm-1 View
  • 35 1793.72 cm-1 View
  • 36 1968.01 cm-1 View
  • 37 3040.43 cm-1 View
  • 38 3046.77 cm-1 View
  • 39 3062.74 cm-1 View
  • 40 3068.56 cm-1 View
  • 41 3853.30 cm-1 View
  • 42 3883.78 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-15.90kJ mol-1
Polar Solvation Energy-26.66kJ mol-1
Nonpolar Solvation Energy10.78kJ mol-1
Surface Area124.59Å2
Charge of Molecule0
Dipole3.97Debye