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 | 313.65 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 323.57 | 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 | 70.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 103.41 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.28 | J mol-1 K-1 |
| Rotational | 112.66 | J mol-1 K-1 |
| Vibrational | 39.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 317.82 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 89.03 | kJ mol-1 |
Molecular Orbitals
- 1 -417.27 eV View
- 2 -301.35 eV View
- 3 -300.11 eV View
- 4 -300.10 eV View
- 5 -299.80 eV View
- 6 -299.80 eV View
- 7 -299.72 eV View
- 8 -31.51 eV View
- 9 -29.09 eV View
- 10 -25.95 eV View
- 11 -25.20 eV View
- 12 -21.03 eV View
- 13 -20.45 eV View
- 14 -17.68 eV View
- 15 -17.01 eV View
- 16 -16.12 eV View
- 17 -14.54 eV View
- 18 -14.53 eV View
- 19 -14.29 eV View
- 20 -13.07 eV View
- 21 -11.95 eV View
- 22 -11.65 eV View
- 23 -10.49 eV View
- 24 -7.67 eV View
- 25 -6.40 eV View
- 26 7.39 eV View
- 27 7.62 eV View
- 28 13.81 eV View
- 29 15.47 eV View
- 30 16.95 eV View
- 31 17.06 eV View
- 32 18.14 eV View
- 33 19.40 eV View
- 34 19.80 eV View
- 35 19.93 eV View
- 36 20.59 eV View
- 37 23.98 eV View
- 38 24.07 eV View
- 39 24.75 eV View
- 40 25.04 eV View
- 41 29.95 eV View
- 42 31.31 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 197.82 cm-1 View
- 2 245.22 cm-1 View
- 3 359.31 cm-1 View
- 4 412.16 cm-1 View
- 5 468.18 cm-1 View
- 6 537.34 cm-1 View
- 7 629.73 cm-1 View
- 8 635.31 cm-1 View
- 9 767.91 cm-1 View
- 10 839.93 cm-1 View
- 11 866.27 cm-1 View
- 12 910.54 cm-1 View
- 13 970.89 cm-1 View
- 14 990.68 cm-1 View
- 15 1013.36 cm-1 View
- 16 1049.00 cm-1 View
- 17 1086.12 cm-1 View
- 18 1115.75 cm-1 View
- 19 1125.23 cm-1 View
- 20 1158.29 cm-1 View
- 21 1169.49 cm-1 View
- 22 1238.86 cm-1 View
- 23 1327.39 cm-1 View
- 24 1368.72 cm-1 View
- 25 1553.07 cm-1 View
- 26 1579.92 cm-1 View
- 27 1678.67 cm-1 View
- 28 1776.46 cm-1 View
- 29 1791.24 cm-1 View
- 30 3051.27 cm-1 View
- 31 3051.70 cm-1 View
- 32 3061.92 cm-1 View
- 33 3066.79 cm-1 View
- 34 3080.64 cm-1 View
- 35 3410.58 cm-1 View
- 36 3531.57 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 5.43 | kJ mol-1 |
| Polar Solvation Energy | -11.18 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.59 | kJ mol-1 |
| Surface Area | 91.96 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.44 | Debye |