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 | 231.21 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 241.12 | 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 | 45.49 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 78.75 | 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 | 19.53 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 289.71 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 127.80 | kJ mol-1 |
Molecular Orbitals
- 1 -417.27 eV View
- 2 -301.30 eV View
- 3 -301.28 eV View
- 4 -300.82 eV View
- 5 -300.60 eV View
- 6 -300.58 eV View
- 7 -32.43 eV View
- 8 -27.94 eV View
- 9 -26.56 eV View
- 10 -21.74 eV View
- 11 -21.52 eV View
- 12 -18.23 eV View
- 13 -16.41 eV View
- 14 -15.98 eV View
- 15 -14.94 eV View
- 16 -13.99 eV View
- 17 -13.27 eV View
- 18 -12.48 eV View
- 19 -8.92 eV View
- 20 -8.61 eV View
- 21 -8.13 eV View
- 22 6.63 eV View
- 23 6.80 eV View
- 24 13.11 eV View
- 25 15.50 eV View
- 26 16.92 eV View
- 27 17.66 eV View
- 28 19.00 eV View
- 29 19.21 eV View
- 30 20.98 eV View
- 31 23.29 eV View
- 32 23.58 eV View
- 33 23.89 eV View
- 34 29.11 eV View
- 35 29.68 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 343.37 cm-1 View
- 2 379.79 cm-1 View
- 3 628.95 cm-1 View
- 4 632.00 cm-1 View
- 5 645.05 cm-1 View
- 6 749.23 cm-1 View
- 7 858.77 cm-1 View
- 8 914.76 cm-1 View
- 9 972.38 cm-1 View
- 10 988.58 cm-1 View
- 11 1014.33 cm-1 View
- 12 1042.25 cm-1 View
- 13 1076.43 cm-1 View
- 14 1125.93 cm-1 View
- 15 1136.81 cm-1 View
- 16 1165.12 cm-1 View
- 17 1200.18 cm-1 View
- 18 1233.73 cm-1 View
- 19 1485.93 cm-1 View
- 20 1551.54 cm-1 View
- 21 1750.04 cm-1 View
- 22 1770.63 cm-1 View
- 23 3025.75 cm-1 View
- 24 3030.56 cm-1 View
- 25 3061.97 cm-1 View
- 26 3076.76 cm-1 View
- 27 3086.78 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -4.16 | kJ mol-1 |
| Polar Solvation Energy | -11.99 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.82 | kJ mol-1 |
| Surface Area | 89.94 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.51 | Debye |