Pyridine
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 | 231.29 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 241.21 | 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 | 45.52 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 78.78 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.25 | J mol-1 K-1 |
| Rotational | 106.94 | J mol-1 K-1 |
| Vibrational | 19.54 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 289.72 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 126.95 | kJ mol-1 |
Molecular Orbitals
- 1 -417.25 eV View
- 2 -301.30 eV View
- 3 -301.29 eV View
- 4 -300.81 eV View
- 5 -300.60 eV View
- 6 -300.60 eV View
- 7 -32.43 eV View
- 8 -27.94 eV View
- 9 -26.55 eV View
- 10 -21.70 eV View
- 11 -21.56 eV View
- 12 -18.24 eV View
- 13 -16.42 eV View
- 14 -15.97 eV View
- 15 -14.95 eV View
- 16 -13.99 eV View
- 17 -13.27 eV View
- 18 -12.46 eV View
- 19 -8.93 eV View
- 20 -8.61 eV View
- 21 -8.13 eV View
- 22 6.64 eV View
- 23 6.79 eV View
- 24 13.12 eV View
- 25 15.50 eV View
- 26 16.87 eV View
- 27 17.80 eV View
- 28 19.05 eV View
- 29 19.13 eV View
- 30 20.92 eV View
- 31 23.41 eV View
- 32 23.42 eV View
- 33 24.01 eV View
- 34 29.14 eV View
- 35 29.66 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 346.21 cm-1 View
- 2 376.57 cm-1 View
- 3 628.27 cm-1 View
- 4 632.28 cm-1 View
- 5 644.42 cm-1 View
- 6 749.59 cm-1 View
- 7 859.20 cm-1 View
- 8 913.46 cm-1 View
- 9 972.04 cm-1 View
- 10 988.18 cm-1 View
- 11 1014.09 cm-1 View
- 12 1042.58 cm-1 View
- 13 1073.99 cm-1 View
- 14 1122.53 cm-1 View
- 15 1138.23 cm-1 View
- 16 1166.87 cm-1 View
- 17 1201.01 cm-1 View
- 18 1234.27 cm-1 View
- 19 1485.89 cm-1 View
- 20 1552.40 cm-1 View
- 21 1753.13 cm-1 View
- 22 1768.50 cm-1 View
- 23 3034.10 cm-1 View
- 24 3037.64 cm-1 View
- 25 3063.24 cm-1 View
- 26 3076.39 cm-1 View
- 27 3085.65 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -5.68 | kJ mol-1 |
| Polar Solvation Energy | -12.34 | kJ mol-1 |
| Nonpolar Solvation Energy | 6.65 | kJ mol-1 |
| Surface Area | 93.35 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.53 | Debye |