3-aminophenol
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 | 325.78 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 335.69 | 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 | 86.07 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 119.33 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.26 | J mol-1 K-1 |
| Rotational | 117.35 | J mol-1 K-1 |
| Vibrational | 53.52 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 338.12 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -83.73 | kJ mol-1 |
Molecular Orbitals
- 1 -552.11 eV View
- 2 -417.06 eV View
- 3 -301.75 eV View
- 4 -301.67 eV View
- 5 -300.17 eV View
- 6 -299.33 eV View
- 7 -299.32 eV View
- 8 -299.32 eV View
- 9 -36.08 eV View
- 10 -31.31 eV View
- 11 -28.74 eV View
- 12 -25.62 eV View
- 13 -25.00 eV View
- 14 -20.93 eV View
- 15 -20.67 eV View
- 16 -17.87 eV View
- 17 -17.37 eV View
- 18 -16.70 eV View
- 19 -15.62 eV View
- 20 -14.59 eV View
- 21 -14.33 eV View
- 22 -13.91 eV View
- 23 -12.82 eV View
- 24 -12.24 eV View
- 25 -12.21 eV View
- 26 -11.20 eV View
- 27 -9.89 eV View
- 28 -6.85 eV View
- 29 -5.92 eV View
- 30 7.63 eV View
- 31 7.96 eV View
- 32 14.03 eV View
- 33 15.22 eV View
- 34 16.22 eV View
- 35 16.37 eV View
- 36 18.06 eV View
- 37 18.29 eV View
- 38 19.32 eV View
- 39 19.75 eV View
- 40 20.68 eV View
- 41 21.21 eV View
- 42 23.94 eV View
- 43 24.21 eV View
- 44 25.54 eV View
- 45 25.66 eV View
- 46 30.11 eV View
- 47 31.34 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -9.55 | kJ mol-1 |
| Polar Solvation Energy | -18.15 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.61 | kJ mol-1 |
| Surface Area | 108.50 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.51 | Debye |