(2s)-pyrrolidine-2-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 | 383.93 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 393.84 | 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 | 94.63 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 127.89 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.93 | J mol-1 K-1 |
| Rotational | 117.93 | J mol-1 K-1 |
| Vibrational | 90.74 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 376.59 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -416.02 | kJ mol-1 |
Molecular Orbitals
- 1 -551.90 eV View
- 2 -550.62 eV View
- 3 -416.73 eV View
- 4 -303.68 eV View
- 5 -301.97 eV View
- 6 -301.38 eV View
- 7 -300.85 eV View
- 8 -300.76 eV View
- 9 -37.48 eV View
- 10 -34.20 eV View
- 11 -31.82 eV View
- 12 -27.18 eV View
- 13 -26.24 eV View
- 14 -22.34 eV View
- 15 -20.81 eV View
- 16 -19.17 eV View
- 17 -17.93 eV View
- 18 -17.04 eV View
- 19 -16.00 eV View
- 20 -15.38 eV View
- 21 -14.95 eV View
- 22 -14.45 eV View
- 23 -13.28 eV View
- 24 -12.63 eV View
- 25 -12.48 eV View
- 26 -12.34 eV View
- 27 -12.10 eV View
- 28 -11.65 eV View
- 29 -9.31 eV View
- 30 -9.08 eV View
- 31 -8.08 eV View
- 32 8.53 eV View
- 33 14.17 eV View
- 34 15.03 eV View
- 35 15.28 eV View
- 36 15.99 eV View
- 37 16.63 eV View
- 38 17.76 eV View
- 39 18.27 eV View
- 40 19.25 eV View
- 41 19.47 eV View
- 42 20.05 eV View
- 43 20.09 eV View
- 44 20.85 eV View
- 45 20.98 eV View
- 46 21.74 eV View
- 47 22.54 eV View
- 48 22.99 eV View
- 49 27.67 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 33.29 cm-1 View
- 2 53.61 cm-1 View
- 3 125.65 cm-1 View
- 4 229.39 cm-1 View
- 5 288.88 cm-1 View
- 6 355.13 cm-1 View
- 7 522.19 cm-1 View
- 8 530.25 cm-1 View
- 9 629.18 cm-1 View
- 10 655.23 cm-1 View
- 11 697.37 cm-1 View
- 12 801.73 cm-1 View
- 13 823.54 cm-1 View
- 14 859.45 cm-1 View
- 15 963.98 cm-1 View
- 16 973.11 cm-1 View
- 17 1015.79 cm-1 View
- 18 1027.00 cm-1 View
- 19 1058.74 cm-1 View
- 20 1073.12 cm-1 View
- 21 1096.32 cm-1 View
- 22 1109.53 cm-1 View
- 23 1125.83 cm-1 View
- 24 1150.12 cm-1 View
- 25 1213.47 cm-1 View
- 26 1234.42 cm-1 View
- 27 1251.70 cm-1 View
- 28 1280.55 cm-1 View
- 29 1304.13 cm-1 View
- 30 1326.18 cm-1 View
- 31 1331.38 cm-1 View
- 32 1391.55 cm-1 View
- 33 1408.64 cm-1 View
- 34 1425.10 cm-1 View
- 35 1439.58 cm-1 View
- 36 1980.61 cm-1 View
- 37 2846.75 cm-1 View
- 38 2949.24 cm-1 View
- 39 2973.17 cm-1 View
- 40 2987.25 cm-1 View
- 41 3021.42 cm-1 View
- 42 3060.18 cm-1 View
- 43 3068.75 cm-1 View
- 44 3394.22 cm-1 View
- 45 3853.45 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -4.49 | kJ mol-1 |
| Polar Solvation Energy | -25.86 | kJ mol-1 |
| Nonpolar Solvation Energy | 21.36 | kJ mol-1 |
| Surface Area | 113.69 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.48 | Debye |