(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 | 383.87 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 393.79 | 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 | 94.74 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 128.00 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.93 | J mol-1 K-1 |
| Rotational | 117.68 | J mol-1 K-1 |
| Vibrational | 99.45 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 385.06 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -414.51 | kJ mol-1 |
Molecular Orbitals
- 1 -551.96 eV View
- 2 -550.33 eV View
- 3 -417.11 eV View
- 4 -303.40 eV View
- 5 -302.15 eV View
- 6 -301.74 eV View
- 7 -301.09 eV View
- 8 -301.03 eV View
- 9 -37.26 eV View
- 10 -34.11 eV View
- 11 -32.20 eV View
- 12 -27.48 eV View
- 13 -26.43 eV View
- 14 -22.30 eV View
- 15 -21.00 eV View
- 16 -19.41 eV View
- 17 -18.24 eV View
- 18 -17.90 eV View
- 19 -16.27 eV View
- 20 -15.44 eV View
- 21 -14.56 eV View
- 22 -14.20 eV View
- 23 -13.49 eV View
- 24 -13.04 eV View
- 25 -12.75 eV View
- 26 -12.46 eV View
- 27 -12.26 eV View
- 28 -11.65 eV View
- 29 -9.49 eV View
- 30 -8.77 eV View
- 31 -8.19 eV View
- 32 8.84 eV View
- 33 13.97 eV View
- 34 14.15 eV View
- 35 14.78 eV View
- 36 16.35 eV View
- 37 16.51 eV View
- 38 17.30 eV View
- 39 17.67 eV View
- 40 18.52 eV View
- 41 19.15 eV View
- 42 19.97 eV View
- 43 20.16 eV View
- 44 20.41 eV View
- 45 21.31 eV View
- 46 21.95 eV View
- 47 22.29 eV View
- 48 23.50 eV View
- 49 27.76 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 23.62 cm-1 View
- 2 45.78 cm-1 View
- 3 66.58 cm-1 View
- 4 231.82 cm-1 View
- 5 283.16 cm-1 View
- 6 435.74 cm-1 View
- 7 464.90 cm-1 View
- 8 528.13 cm-1 View
- 9 629.94 cm-1 View
- 10 678.61 cm-1 View
- 11 741.65 cm-1 View
- 12 762.70 cm-1 View
- 13 819.39 cm-1 View
- 14 838.18 cm-1 View
- 15 955.21 cm-1 View
- 16 968.61 cm-1 View
- 17 1020.97 cm-1 View
- 18 1026.44 cm-1 View
- 19 1035.47 cm-1 View
- 20 1064.50 cm-1 View
- 21 1084.72 cm-1 View
- 22 1095.02 cm-1 View
- 23 1120.58 cm-1 View
- 24 1138.99 cm-1 View
- 25 1222.78 cm-1 View
- 26 1253.72 cm-1 View
- 27 1282.24 cm-1 View
- 28 1286.68 cm-1 View
- 29 1302.55 cm-1 View
- 30 1321.08 cm-1 View
- 31 1335.41 cm-1 View
- 32 1392.04 cm-1 View
- 33 1411.30 cm-1 View
- 34 1426.80 cm-1 View
- 35 1442.19 cm-1 View
- 36 1972.66 cm-1 View
- 37 2867.72 cm-1 View
- 38 2945.64 cm-1 View
- 39 2971.57 cm-1 View
- 40 2985.56 cm-1 View
- 41 3019.90 cm-1 View
- 42 3061.83 cm-1 View
- 43 3067.16 cm-1 View
- 44 3395.44 cm-1 View
- 45 3854.90 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -12.94 | kJ mol-1 |
| Polar Solvation Energy | -30.88 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.93 | kJ mol-1 |
| Surface Area | 108.10 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 6.01 | Debye |