2-methylphenol
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 | 356.72 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 366.63 | 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 | 83.45 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 116.71 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.15 | J mol-1 K-1 |
| Rotational | 116.82 | J mol-1 K-1 |
| Vibrational | 51.97 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 335.93 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -121.32 | kJ mol-1 |
Molecular Orbitals
- 1 -552.18 eV View
- 2 -301.74 eV View
- 3 -300.33 eV View
- 4 -300.16 eV View
- 5 -300.10 eV View
- 6 -300.02 eV View
- 7 -299.92 eV View
- 8 -299.79 eV View
- 9 -36.17 eV View
- 10 -29.62 eV View
- 11 -26.97 eV View
- 12 -25.61 eV View
- 13 -23.85 eV View
- 14 -21.18 eV View
- 15 -20.09 eV View
- 16 -17.85 eV View
- 17 -16.63 eV View
- 18 -15.97 eV View
- 19 -14.82 eV View
- 20 -14.79 eV View
- 21 -14.16 eV View
- 22 -13.51 eV View
- 23 -13.41 eV View
- 24 -12.84 eV View
- 25 -11.80 eV View
- 26 -11.17 eV View
- 27 -11.14 eV View
- 28 -7.52 eV View
- 29 -6.51 eV View
- 30 7.23 eV View
- 31 7.61 eV View
- 32 13.59 eV View
- 33 15.26 eV View
- 34 16.22 eV View
- 35 16.78 eV View
- 36 18.20 eV View
- 37 18.77 eV View
- 38 19.43 eV View
- 39 19.83 eV View
- 40 20.12 eV View
- 41 20.31 eV View
- 42 20.63 eV View
- 43 24.03 eV View
- 44 24.22 eV View
- 45 24.71 eV View
- 46 25.19 eV View
- 47 29.96 eV View
- 48 31.20 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -2.32 | kJ mol-1 |
| Polar Solvation Energy | -11.99 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.61 | kJ mol-1 |
| Surface Area | 108.89 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.18 | Debye |