4-hydroxybenzoic acid
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 330.85 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 340.77 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 110.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 143.84 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.20 | J mol-1 K-1 |
| Rotational | 123.34 | J mol-1 K-1 |
| Vibrational | 95.82 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 389.35 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -467.66 | kJ mol-1 |
Molecular Orbitals
- 1 -552.75 eV View
- 2 -551.92 eV View
- 3 -550.46 eV View
- 4 -303.76 eV View
- 5 -302.47 eV View
- 6 -300.87 eV View
- 7 -300.78 eV View
- 8 -300.55 eV View
- 9 -300.33 eV View
- 10 -300.25 eV View
- 11 -37.51 eV View
- 12 -36.68 eV View
- 13 -34.14 eV View
- 14 -30.06 eV View
- 15 -26.53 eV View
- 16 -26.47 eV View
- 17 -22.30 eV View
- 18 -21.60 eV View
- 19 -19.90 eV View
- 20 -18.43 eV View
- 21 -17.03 eV View
- 22 -16.55 eV View
- 23 -15.56 eV View
- 24 -15.35 eV View
- 25 -14.94 eV View
- 26 -14.81 eV View
- 27 -14.15 eV View
- 28 -13.72 eV View
- 29 -13.08 eV View
- 30 -11.95 eV View
- 31 -11.70 eV View
- 32 -11.56 eV View
- 33 -9.25 eV View
- 34 -8.98 eV View
- 35 -8.19 eV View
- 36 -6.91 eV View
- 37 5.87 eV View
- 38 6.93 eV View
- 39 9.93 eV View
- 40 13.86 eV View
- 41 14.66 eV View
- 42 15.50 eV View
- 43 16.08 eV View
- 44 17.48 eV View
- 45 17.75 eV View
- 46 18.74 eV View
- 47 19.12 eV View
- 48 19.71 eV View
- 49 20.91 eV View
- 50 22.49 eV View
- 51 23.74 eV View
- 52 24.24 eV View
- 53 24.73 eV View
- 54 27.21 eV View
- 55 30.06 eV View
- 56 30.74 eV View
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 |
|
| Property | Value | Unit |
| Total Solvation Energy | -15.90 | kJ mol-1 |
| Polar Solvation Energy | -26.66 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.78 | kJ mol-1 |
| Surface Area | 124.59 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.97 | Debye |