Pyrazine
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 | 198.35 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 208.27 | 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 | 42.66 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 75.92 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.40 | J mol-1 K-1 |
| Rotational | 106.58 | J mol-1 K-1 |
| Vibrational | 18.39 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 288.37 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 164.36 | kJ mol-1 |
Molecular Orbitals
- 1 -418.09 eV View
- 2 -418.09 eV View
- 3 -301.86 eV View
- 4 -301.85 eV View
- 5 -301.85 eV View
- 6 -301.85 eV View
- 7 -33.88 eV View
- 8 -31.23 eV View
- 9 -27.18 eV View
- 10 -22.78 eV View
- 11 -22.35 eV View
- 12 -18.28 eV View
- 13 -17.18 eV View
- 14 -16.92 eV View
- 15 -15.48 eV View
- 16 -14.09 eV View
- 17 -13.28 eV View
- 18 -11.04 eV View
- 19 -9.68 eV View
- 20 -8.71 eV View
- 21 -8.66 eV View
- 22 5.87 eV View
- 23 6.17 eV View
- 24 12.39 eV View
- 25 16.27 eV View
- 26 16.91 eV View
- 27 17.17 eV View
- 28 17.80 eV View
- 29 18.24 eV View
- 30 22.08 eV View
- 31 22.93 eV View
- 32 23.43 eV View
- 33 27.42 eV View
- 34 28.44 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 336.61 cm-1 View
- 2 404.02 cm-1 View
- 3 631.78 cm-1 View
- 4 643.95 cm-1 View
- 5 672.89 cm-1 View
- 6 790.66 cm-1 View
- 7 867.83 cm-1 View
- 8 960.48 cm-1 View
- 9 965.34 cm-1 View
- 10 991.63 cm-1 View
- 11 1032.71 cm-1 View
- 12 1063.07 cm-1 View
- 13 1078.03 cm-1 View
- 14 1086.79 cm-1 View
- 15 1135.70 cm-1 View
- 16 1235.83 cm-1 View
- 17 1416.34 cm-1 View
- 18 1556.83 cm-1 View
- 19 1706.36 cm-1 View
- 20 1756.95 cm-1 View
- 21 3032.72 cm-1 View
- 22 3035.77 cm-1 View
- 23 3044.23 cm-1 View
- 24 3049.68 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -11.05 | kJ mol-1 |
| Polar Solvation Energy | -16.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 4.97 | kJ mol-1 |
| Surface Area | 94.43 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |