1h-imidazole
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 | 183.42 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 193.34 | 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 | 35.17 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 68.42 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.38 | J mol-1 K-1 |
| Rotational | 101.25 | J mol-1 K-1 |
| Vibrational | 14.03 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 276.66 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 130.89 | kJ mol-1 |
Molecular Orbitals
- 1 -419.65 eV View
- 2 -416.19 eV View
- 3 -301.66 eV View
- 4 -300.95 eV View
- 5 -300.05 eV View
- 6 -34.24 eV View
- 7 -29.57 eV View
- 8 -25.58 eV View
- 9 -20.83 eV View
- 10 -19.73 eV View
- 11 -18.95 eV View
- 12 -14.86 eV View
- 13 -14.57 eV View
- 14 -14.51 eV View
- 15 -13.66 eV View
- 16 -8.99 eV View
- 17 -8.56 eV View
- 18 -7.07 eV View
- 19 7.93 eV View
- 20 10.26 eV View
- 21 15.55 eV View
- 22 16.22 eV View
- 23 17.28 eV View
- 24 18.17 eV View
- 25 19.34 eV View
- 26 20.46 eV View
- 27 25.30 eV View
- 28 26.28 eV View
- 29 28.54 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 396.36 cm-1 View
- 2 527.98 cm-1 View
- 3 558.85 cm-1 View
- 4 784.14 cm-1 View
- 5 813.36 cm-1 View
- 6 826.97 cm-1 View
- 7 854.98 cm-1 View
- 8 898.26 cm-1 View
- 9 1010.48 cm-1 View
- 10 1054.11 cm-1 View
- 11 1104.47 cm-1 View
- 12 1192.77 cm-1 View
- 13 1242.05 cm-1 View
- 14 1459.41 cm-1 View
- 15 1471.59 cm-1 View
- 16 1523.32 cm-1 View
- 17 1628.74 cm-1 View
- 18 3072.05 cm-1 View
- 19 3117.29 cm-1 View
- 20 3135.51 cm-1 View
- 21 3471.98 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -19.33 | kJ mol-1 |
| Polar Solvation Energy | -30.57 | kJ mol-1 |
| Nonpolar Solvation Energy | 11.24 | kJ mol-1 |
| Surface Area | 79.64 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.07 | Debye |