Phenol
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 | 281.37 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 291.29 | 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 | 67.07 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 100.33 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.41 | J mol-1 K-1 |
| Rotational | 112.53 | J mol-1 K-1 |
| Vibrational | 37.45 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 315.39 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -89.84 | kJ mol-1 |
Molecular Orbitals
- 1 -552.24 eV View
- 2 -301.88 eV View
- 3 -300.30 eV View
- 4 -300.24 eV View
- 5 -299.99 eV View
- 6 -299.91 eV View
- 7 -299.86 eV View
- 8 -36.21 eV View
- 9 -29.57 eV View
- 10 -26.13 eV View
- 11 -25.57 eV View
- 12 -21.28 eV View
- 13 -20.63 eV View
- 14 -18.06 eV View
- 15 -16.87 eV View
- 16 -15.84 eV View
- 17 -14.81 eV View
- 18 -14.61 eV View
- 19 -13.94 eV View
- 20 -13.00 eV View
- 21 -12.11 eV View
- 22 -11.41 eV View
- 23 -11.20 eV View
- 24 -7.82 eV View
- 25 -6.69 eV View
- 26 7.23 eV View
- 27 7.52 eV View
- 28 13.71 eV View
- 29 15.09 eV View
- 30 16.30 eV View
- 31 17.15 eV View
- 32 18.18 eV View
- 33 19.26 eV View
- 34 19.74 eV View
- 35 20.16 eV View
- 36 23.60 eV View
- 37 23.91 eV View
- 38 24.49 eV View
- 39 24.85 eV View
- 40 29.66 eV View
- 41 31.19 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -4.77 | kJ mol-1 |
| Polar Solvation Energy | -12.59 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.86 | kJ mol-1 |
| Surface Area | 102.14 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.49 | Debye |