4-hydroxybenzaldehyde
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 | 312.56 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 322.47 | 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 | 94.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 128.03 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.66 | J mol-1 K-1 |
| Rotational | 120.18 | J mol-1 K-1 |
| Vibrational | 73.55 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 362.39 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -235.79 | kJ mol-1 |
Molecular Orbitals
- 1 -552.65 eV View
- 2 -551.79 eV View
- 3 -302.49 eV View
- 4 -302.35 eV View
- 5 -300.70 eV View
- 6 -300.64 eV View
- 7 -300.27 eV View
- 8 -300.25 eV View
- 9 -300.21 eV View
- 10 -36.59 eV View
- 11 -36.09 eV View
- 12 -29.97 eV View
- 13 -26.50 eV View
- 14 -26.32 eV View
- 15 -22.20 eV View
- 16 -21.69 eV View
- 17 -19.81 eV View
- 18 -18.16 eV View
- 19 -17.62 eV View
- 20 -16.09 eV View
- 21 -15.19 eV View
- 22 -14.88 eV View
- 23 -14.84 eV View
- 24 -14.33 eV View
- 25 -13.26 eV View
- 26 -12.83 eV View
- 27 -12.75 eV View
- 28 -11.62 eV View
- 29 -10.88 eV View
- 30 -9.03 eV View
- 31 -8.14 eV View
- 32 -6.78 eV View
- 33 5.85 eV View
- 34 6.98 eV View
- 35 9.62 eV View
- 36 13.90 eV View
- 37 14.89 eV View
- 38 15.85 eV View
- 39 16.86 eV View
- 40 17.57 eV View
- 41 18.31 eV View
- 42 19.05 eV View
- 43 19.69 eV View
- 44 20.24 eV View
- 45 22.89 eV View
- 46 23.59 eV View
- 47 24.17 eV View
- 48 24.39 eV View
- 49 27.03 eV View
- 50 30.14 eV View
- 51 30.84 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 67.29 cm-1 View
- 2 139.37 cm-1 View
- 3 222.60 cm-1 View
- 4 303.26 cm-1 View
- 5 333.17 cm-1 View
- 6 365.77 cm-1 View
- 7 398.67 cm-1 View
- 8 456.12 cm-1 View
- 9 511.22 cm-1 View
- 10 606.28 cm-1 View
- 11 643.56 cm-1 View
- 12 667.97 cm-1 View
- 13 806.76 cm-1 View
- 14 840.29 cm-1 View
- 15 856.48 cm-1 View
- 16 957.79 cm-1 View
- 17 978.67 cm-1 View
- 18 989.33 cm-1 View
- 19 1014.80 cm-1 View
- 20 1054.79 cm-1 View
- 21 1139.29 cm-1 View
- 22 1163.97 cm-1 View
- 23 1195.60 cm-1 View
- 24 1215.86 cm-1 View
- 25 1275.89 cm-1 View
- 26 1292.94 cm-1 View
- 27 1391.78 cm-1 View
- 28 1467.54 cm-1 View
- 29 1564.19 cm-1 View
- 30 1636.36 cm-1 View
- 31 1782.58 cm-1 View
- 32 1794.06 cm-1 View
- 33 1969.75 cm-1 View
- 34 2922.23 cm-1 View
- 35 3041.18 cm-1 View
- 36 3043.14 cm-1 View
- 37 3062.20 cm-1 View
- 38 3070.17 cm-1 View
- 39 3884.56 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -15.14 | kJ mol-1 |
| Polar Solvation Energy | -23.50 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.36 | kJ mol-1 |
| Surface Area | 116.89 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.76 | Debye |