Pyridine-3-carboxylic acid
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 | 280.57 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 290.48 | 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 | 89.50 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 122.76 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.76 | J mol-1 K-1 |
| Rotational | 119.90 | J mol-1 K-1 |
| Vibrational | 78.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 366.68 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -245.83 | kJ mol-1 |
Molecular Orbitals
- 1 -552.28 eV View
- 2 -551.03 eV View
- 3 -417.59 eV View
- 4 -304.22 eV View
- 5 -301.82 eV View
- 6 -301.78 eV View
- 7 -301.33 eV View
- 8 -301.27 eV View
- 9 -300.93 eV View
- 10 -37.86 eV View
- 11 -34.57 eV View
- 12 -32.83 eV View
- 13 -28.53 eV View
- 14 -27.21 eV View
- 15 -23.10 eV View
- 16 -22.09 eV View
- 17 -20.24 eV View
- 18 -18.45 eV View
- 19 -17.33 eV View
- 20 -16.44 eV View
- 21 -15.81 eV View
- 22 -15.39 eV View
- 23 -15.13 eV View
- 24 -14.36 eV View
- 25 -13.35 eV View
- 26 -13.23 eV View
- 27 -12.53 eV View
- 28 -9.82 eV View
- 29 -9.62 eV View
- 30 -9.04 eV View
- 31 -8.85 eV View
- 32 -8.24 eV View
- 33 5.22 eV View
- 34 6.38 eV View
- 35 9.41 eV View
- 36 13.30 eV View
- 37 14.65 eV View
- 38 16.15 eV View
- 39 16.68 eV View
- 40 17.44 eV View
- 41 18.37 eV View
- 42 18.98 eV View
- 43 19.75 eV View
- 44 20.87 eV View
- 45 22.55 eV View
- 46 23.37 eV View
- 47 24.08 eV View
- 48 26.67 eV View
- 49 29.08 eV View
- 50 29.78 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 20.43 cm-1 View
- 2 147.26 cm-1 View
- 3 213.11 cm-1 View
- 4 359.81 cm-1 View
- 5 363.97 cm-1 View
- 6 407.84 cm-1 View
- 7 469.93 cm-1 View
- 8 510.52 cm-1 View
- 9 552.72 cm-1 View
- 10 625.96 cm-1 View
- 11 635.86 cm-1 View
- 12 710.20 cm-1 View
- 13 818.17 cm-1 View
- 14 825.02 cm-1 View
- 15 921.31 cm-1 View
- 16 954.60 cm-1 View
- 17 1011.52 cm-1 View
- 18 1042.55 cm-1 View
- 19 1073.26 cm-1 View
- 20 1106.47 cm-1 View
- 21 1140.08 cm-1 View
- 22 1179.95 cm-1 View
- 23 1206.09 cm-1 View
- 24 1233.45 cm-1 View
- 25 1287.87 cm-1 View
- 26 1444.48 cm-1 View
- 27 1511.95 cm-1 View
- 28 1583.70 cm-1 View
- 29 1755.22 cm-1 View
- 30 1770.23 cm-1 View
- 31 1973.92 cm-1 View
- 32 3022.77 cm-1 View
- 33 3033.00 cm-1 View
- 34 3046.44 cm-1 View
- 35 3075.61 cm-1 View
- 36 3857.02 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -10.59 | kJ mol-1 |
| Polar Solvation Energy | -24.28 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.71 | kJ mol-1 |
| Surface Area | 112.48 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.29 | Debye |