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.) | 323.56 | 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 | 70.19 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 103.44 | 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 | 40.00 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 317.95 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 89.04 | 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 |
|
- 1 197.23 cm-1 View
- 2 242.67 cm-1 View
- 3 358.26 cm-1 View
- 4 411.92 cm-1 View
- 5 467.82 cm-1 View
- 6 537.38 cm-1 View
- 7 629.77 cm-1 View
- 8 635.14 cm-1 View
- 9 768.21 cm-1 View
- 10 840.19 cm-1 View
- 11 866.27 cm-1 View
- 12 910.46 cm-1 View
- 13 970.69 cm-1 View
- 14 990.44 cm-1 View
- 15 1012.77 cm-1 View
- 16 1048.91 cm-1 View
- 17 1085.74 cm-1 View
- 18 1115.57 cm-1 View
- 19 1125.14 cm-1 View
- 20 1158.04 cm-1 View
- 21 1169.26 cm-1 View
- 22 1238.70 cm-1 View
- 23 1328.85 cm-1 View
- 24 1368.64 cm-1 View
- 25 1553.04 cm-1 View
- 26 1579.87 cm-1 View
- 27 1678.43 cm-1 View
- 28 1776.50 cm-1 View
- 29 1791.23 cm-1 View
- 30 3051.39 cm-1 View
- 31 3051.80 cm-1 View
- 32 3062.00 cm-1 View
- 33 3066.90 cm-1 View
- 34 3080.69 cm-1 View
- 35 3411.52 cm-1 View
- 36 3532.48 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -3.52 | kJ mol-1 |
| Polar Solvation Energy | -11.96 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.49 | kJ mol-1 |
| Surface Area | 99.45 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.45 | Debye |