Pyridazine
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 | 199.51 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 209.43 | 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 | 42.16 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 75.42 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.40 | J mol-1 K-1 |
| Rotational | 106.53 | J mol-1 K-1 |
| Vibrational | 18.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 288.08 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 234.04 | kJ mol-1 |
Molecular Orbitals
- 1 -418.81 eV View
- 2 -418.79 eV View
- 3 -301.80 eV View
- 4 -301.80 eV View
- 5 -301.42 eV View
- 6 -301.42 eV View
- 7 -35.56 eV View
- 8 -28.81 eV View
- 9 -28.46 eV View
- 10 -22.76 eV View
- 11 -22.52 eV View
- 12 -18.53 eV View
- 13 -17.02 eV View
- 14 -16.82 eV View
- 15 -14.95 eV View
- 16 -14.36 eV View
- 17 -14.33 eV View
- 18 -11.31 eV View
- 19 -9.57 eV View
- 20 -8.86 eV View
- 21 -8.22 eV View
- 22 5.99 eV View
- 23 6.00 eV View
- 24 12.40 eV View
- 25 15.03 eV View
- 26 16.71 eV View
- 27 17.81 eV View
- 28 18.34 eV View
- 29 18.93 eV View
- 30 21.71 eV View
- 31 22.42 eV View
- 32 23.22 eV View
- 33 28.16 eV View
- 34 28.92 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 358.33 cm-1 View
- 2 377.87 cm-1 View
- 3 640.58 cm-1 View
- 4 643.06 cm-1 View
- 5 694.70 cm-1 View
- 6 769.49 cm-1 View
- 7 888.07 cm-1 View
- 8 950.87 cm-1 View
- 9 1006.88 cm-1 View
- 10 1013.82 cm-1 View
- 11 1015.26 cm-1 View
- 12 1042.50 cm-1 View
- 13 1095.82 cm-1 View
- 14 1123.74 cm-1 View
- 15 1133.96 cm-1 View
- 16 1239.62 cm-1 View
- 17 1458.40 cm-1 View
- 18 1536.29 cm-1 View
- 19 1730.71 cm-1 View
- 20 1735.24 cm-1 View
- 21 3041.66 cm-1 View
- 22 3042.07 cm-1 View
- 23 3072.27 cm-1 View
- 24 3086.32 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -17.54 | kJ mol-1 |
| Polar Solvation Energy | -23.05 | kJ mol-1 |
| Nonpolar Solvation Energy | 5.48 | kJ mol-1 |
| Surface Area | 89.92 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.75 | Debye |