Aniline
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 | 308.02 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 317.93 | 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 | 67.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 101.20 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.28 | J mol-1 K-1 |
| Rotational | 112.63 | J mol-1 K-1 |
| Vibrational | 36.96 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 314.88 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 107.70 | kJ mol-1 |
Molecular Orbitals
- 1 -416.99 eV View
- 2 -301.55 eV View
- 3 -299.98 eV View
- 4 -299.98 eV View
- 5 -299.55 eV View
- 6 -299.55 eV View
- 7 -299.44 eV View
- 8 -31.28 eV View
- 9 -28.88 eV View
- 10 -25.81 eV View
- 11 -25.04 eV View
- 12 -20.92 eV View
- 13 -20.42 eV View
- 14 -17.66 eV View
- 15 -17.33 eV View
- 16 -16.15 eV View
- 17 -14.50 eV View
- 18 -14.45 eV View
- 19 -14.23 eV View
- 20 -13.06 eV View
- 21 -11.90 eV View
- 22 -11.52 eV View
- 23 -10.37 eV View
- 24 -7.57 eV View
- 25 -5.92 eV View
- 26 7.54 eV View
- 27 7.94 eV View
- 28 14.07 eV View
- 29 15.53 eV View
- 30 16.56 eV View
- 31 17.15 eV View
- 32 18.18 eV View
- 33 19.62 eV View
- 34 20.02 eV View
- 35 20.45 eV View
- 36 21.11 eV View
- 37 24.24 eV View
- 38 24.39 eV View
- 39 25.09 eV View
- 40 25.63 eV View
- 41 30.21 eV View
- 42 31.52 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 23.38 cm-1 View
- 2 194.92 cm-1 View
- 3 345.26 cm-1 View
- 4 379.52 cm-1 View
- 5 408.59 cm-1 View
- 6 470.35 cm-1 View
- 7 536.86 cm-1 View
- 8 629.10 cm-1 View
- 9 634.27 cm-1 View
- 10 768.94 cm-1 View
- 11 830.33 cm-1 View
- 12 877.20 cm-1 View
- 13 904.15 cm-1 View
- 14 965.19 cm-1 View
- 15 1001.69 cm-1 View
- 16 1027.49 cm-1 View
- 17 1049.19 cm-1 View
- 18 1113.69 cm-1 View
- 19 1130.68 cm-1 View
- 20 1156.96 cm-1 View
- 21 1169.19 cm-1 View
- 22 1238.16 cm-1 View
- 23 1338.75 cm-1 View
- 24 1391.73 cm-1 View
- 25 1554.16 cm-1 View
- 26 1572.72 cm-1 View
- 27 1627.11 cm-1 View
- 28 1769.48 cm-1 View
- 29 1787.09 cm-1 View
- 30 3053.24 cm-1 View
- 31 3053.59 cm-1 View
- 32 3064.56 cm-1 View
- 33 3067.57 cm-1 View
- 34 3082.42 cm-1 View
- 35 3500.92 cm-1 View
- 36 3554.74 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -3.82 | kJ mol-1 |
| Polar Solvation Energy | -10.76 | kJ mol-1 |
| Nonpolar Solvation Energy | 6.90 | kJ mol-1 |
| Surface Area | 102.18 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.18 | Debye |