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 | 281.25 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 291.17 | 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 | 67.27 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 100.52 | 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 | 38.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 316.09 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -89.73 | kJ mol-1 |
Molecular Orbitals
- 1 -552.24 eV View
- 2 -301.89 eV View
- 3 -300.29 eV View
- 4 -300.22 eV View
- 5 -299.99 eV View
- 6 -299.88 eV View
- 7 -299.85 eV View
- 8 -36.21 eV View
- 9 -29.56 eV View
- 10 -26.11 eV View
- 11 -25.57 eV View
- 12 -21.27 eV View
- 13 -20.64 eV View
- 14 -18.08 eV View
- 15 -16.84 eV View
- 16 -15.86 eV View
- 17 -14.79 eV View
- 18 -14.58 eV View
- 19 -13.93 eV View
- 20 -12.96 eV View
- 21 -12.09 eV View
- 22 -11.43 eV View
- 23 -11.20 eV View
- 24 -7.81 eV View
- 25 -6.67 eV View
- 26 7.24 eV View
- 27 7.53 eV View
- 28 13.74 eV View
- 29 15.05 eV View
- 30 16.32 eV View
- 31 17.14 eV View
- 32 18.21 eV View
- 33 19.19 eV View
- 34 19.73 eV View
- 35 20.26 eV View
- 36 23.56 eV View
- 37 23.89 eV View
- 38 24.49 eV View
- 39 24.96 eV View
- 40 29.67 eV View
- 41 31.20 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 202.01 cm-1 View
- 2 265.87 cm-1 View
- 3 361.21 cm-1 View
- 4 428.15 cm-1 View
- 5 477.49 cm-1 View
- 6 533.72 cm-1 View
- 7 629.00 cm-1 View
- 8 634.53 cm-1 View
- 9 775.69 cm-1 View
- 10 840.65 cm-1 View
- 11 874.77 cm-1 View
- 12 922.29 cm-1 View
- 13 972.32 cm-1 View
- 14 1009.68 cm-1 View
- 15 1048.13 cm-1 View
- 16 1105.45 cm-1 View
- 17 1129.83 cm-1 View
- 18 1151.99 cm-1 View
- 19 1159.48 cm-1 View
- 20 1210.29 cm-1 View
- 21 1267.13 cm-1 View
- 22 1368.87 cm-1 View
- 23 1403.05 cm-1 View
- 24 1566.92 cm-1 View
- 25 1608.32 cm-1 View
- 26 1783.66 cm-1 View
- 27 1792.06 cm-1 View
- 28 3052.09 cm-1 View
- 29 3058.56 cm-1 View
- 30 3065.21 cm-1 View
- 31 3071.56 cm-1 View
- 32 3081.27 cm-1 View
- 33 3900.87 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 1.92 | kJ mol-1 |
| Polar Solvation Energy | -11.94 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.84 | kJ mol-1 |
| Surface Area | 92.69 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.47 | Debye |