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 | 281.40 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 291.32 | 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 | 66.97 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 100.22 | 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 | 37.12 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 315.06 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -90.57 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 204.63 cm-1 View
- 2 304.49 cm-1 View
- 3 361.35 cm-1 View
- 4 426.69 cm-1 View
- 5 475.99 cm-1 View
- 6 533.71 cm-1 View
- 7 629.38 cm-1 View
- 8 634.12 cm-1 View
- 9 775.23 cm-1 View
- 10 840.73 cm-1 View
- 11 875.09 cm-1 View
- 12 921.40 cm-1 View
- 13 972.16 cm-1 View
- 14 1008.92 cm-1 View
- 15 1047.34 cm-1 View
- 16 1103.56 cm-1 View
- 17 1130.18 cm-1 View
- 18 1152.00 cm-1 View
- 19 1156.56 cm-1 View
- 20 1212.97 cm-1 View
- 21 1272.12 cm-1 View
- 22 1377.33 cm-1 View
- 23 1407.90 cm-1 View
- 24 1569.24 cm-1 View
- 25 1609.45 cm-1 View
- 26 1786.73 cm-1 View
- 27 1791.84 cm-1 View
- 28 3054.44 cm-1 View
- 29 3056.99 cm-1 View
- 30 3065.83 cm-1 View
- 31 3071.72 cm-1 View
- 32 3081.32 cm-1 View
- 33 3888.50 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -3.97 | kJ mol-1 |
| Polar Solvation Energy | -12.63 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.69 | kJ mol-1 |
| Surface Area | 97.27 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.48 | Debye |