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 | 45.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 78.77 | 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 | 19.52 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 289.71 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 126.96 | 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 -13.28 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 13.11 eV View
- 25 15.50 eV View
- 26 16.87 eV View
- 27 17.79 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
- 2 377.35 cm-1 View
- 3 628.25 cm-1 View
- 4 632.31 cm-1 View
- 5 644.54 cm-1 View
- 6 749.22 cm-1 View
- 7 859.06 cm-1 View
- 8 913.40 cm-1 View
- 9 972.00 cm-1 View
- 10 988.16 cm-1 View
- 11 1014.34 cm-1 View
- 12 1042.78 cm-1 View
- 13 1074.22 cm-1 View
- 14 1122.69 cm-1 View
- 15 1138.50 cm-1 View
- 16 1166.82 cm-1 View
- 17 1200.28 cm-1 View
- 18 1234.29 cm-1 View
- 19 1485.94 cm-1 View
- 20 1552.43 cm-1 View
- 21 1753.12 cm-1 View
- 22 1768.51 cm-1 View
- 23 3034.15 cm-1 View
- 24 3037.69 cm-1 View
- 25 3063.34 cm-1 View
- 26 3076.35 cm-1 View
- 27 3085.67 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.19 | kJ mol-1 |
| Polar Solvation Energy | -12.03 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.21 | kJ mol-1 |
| Surface Area | 87.20 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.52 | Debye |