4-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 | 325.32 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 335.23 | 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 | 86.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 120.19 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.26 | J mol-1 K-1 |
| Rotational | 116.76 | J mol-1 K-1 |
| Vibrational | 56.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 340.43 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -76.65 | kJ mol-1 |
Molecular Orbitals
- 1 -551.81 eV View
- 2 -416.83 eV View
- 3 -301.35 eV View
- 4 -301.26 eV View
- 5 -299.92 eV View
- 6 -299.86 eV View
- 7 -299.78 eV View
- 8 -299.76 eV View
- 9 -35.80 eV View
- 10 -31.17 eV View
- 11 -28.73 eV View
- 12 -25.99 eV View
- 13 -24.70 eV View
- 14 -21.31 eV View
- 15 -20.32 eV View
- 16 -17.87 eV View
- 17 -17.45 eV View
- 18 -16.65 eV View
- 19 -15.37 eV View
- 20 -14.57 eV View
- 21 -14.41 eV View
- 22 -13.78 eV View
- 23 -13.07 eV View
- 24 -12.24 eV View
- 25 -12.14 eV View
- 26 -11.16 eV View
- 27 -9.44 eV View
- 28 -7.75 eV View
- 29 -5.32 eV View
- 30 7.35 eV View
- 31 8.08 eV View
- 32 14.01 eV View
- 33 15.29 eV View
- 34 15.94 eV View
- 35 16.76 eV View
- 36 17.76 eV View
- 37 18.28 eV View
- 38 19.38 eV View
- 39 19.90 eV View
- 40 20.49 eV View
- 41 21.12 eV View
- 42 24.09 eV View
- 43 24.65 eV View
- 44 24.93 eV View
- 45 25.57 eV View
- 46 30.09 eV View
- 47 31.32 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 23.83 cm-1 View
- 2 130.61 cm-1 View
- 3 255.28 cm-1 View
- 4 330.67 cm-1 View
- 5 338.42 cm-1 View
- 6 352.05 cm-1 View
- 7 367.98 cm-1 View
- 8 464.00 cm-1 View
- 9 475.32 cm-1 View
- 10 511.92 cm-1 View
- 11 647.01 cm-1 View
- 12 659.49 cm-1 View
- 13 793.83 cm-1 View
- 14 825.92 cm-1 View
- 15 853.27 cm-1 View
- 16 952.26 cm-1 View
- 17 968.81 cm-1 View
- 18 1001.30 cm-1 View
- 19 1029.60 cm-1 View
- 20 1060.03 cm-1 View
- 21 1149.79 cm-1 View
- 22 1174.93 cm-1 View
- 23 1217.51 cm-1 View
- 24 1281.45 cm-1 View
- 25 1300.50 cm-1 View
- 26 1391.74 cm-1 View
- 27 1488.76 cm-1 View
- 28 1573.62 cm-1 View
- 29 1597.09 cm-1 View
- 30 1631.84 cm-1 View
- 31 1775.95 cm-1 View
- 32 1800.88 cm-1 View
- 33 3050.08 cm-1 View
- 34 3052.29 cm-1 View
- 35 3064.47 cm-1 View
- 36 3070.46 cm-1 View
- 37 3502.86 cm-1 View
- 38 3555.76 cm-1 View
- 39 3893.02 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -9.75 | kJ mol-1 |
| Polar Solvation Energy | -17.80 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.03 | kJ mol-1 |
| Surface Area | 109.14 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.82 | Debye |