(2,5-dioxopyrrolidin-1-yl) formate
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 | 284.44 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 294.36 | 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 | 110.90 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 144.16 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.64 | J mol-1 K-1 |
| Rotational | 123.90 | J mol-1 K-1 |
| Vibrational | 109.62 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 404.16 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -502.43 | kJ mol-1 |
Molecular Orbitals
- 1 -554.38 eV View
- 2 -552.31 eV View
- 3 -552.31 eV View
- 4 -552.24 eV View
- 5 -419.20 eV View
- 6 -304.56 eV View
- 7 -304.24 eV View
- 8 -304.24 eV View
- 9 -301.90 eV View
- 10 -301.89 eV View
- 11 -38.73 eV View
- 12 -37.13 eV View
- 13 -36.82 eV View
- 14 -35.51 eV View
- 15 -31.03 eV View
- 16 -27.80 eV View
- 17 -24.55 eV View
- 18 -21.64 eV View
- 19 -20.54 eV View
- 20 -20.06 eV View
- 21 -17.93 eV View
- 22 -17.22 eV View
- 23 -16.39 eV View
- 24 -16.33 eV View
- 25 -15.55 eV View
- 26 -14.82 eV View
- 27 -14.55 eV View
- 28 -14.48 eV View
- 29 -14.15 eV View
- 30 -13.61 eV View
- 31 -13.32 eV View
- 32 -11.70 eV View
- 33 -10.60 eV View
- 34 -10.48 eV View
- 35 -10.06 eV View
- 36 -8.80 eV View
- 37 -8.60 eV View
- 38 7.22 eV View
- 39 7.50 eV View
- 40 7.95 eV View
- 41 12.07 eV View
- 42 15.01 eV View
- 43 15.28 eV View
- 44 15.51 eV View
- 45 15.85 eV View
- 46 16.42 eV View
- 47 18.07 eV View
- 48 18.77 eV View
- 49 19.43 eV View
- 50 20.00 eV View
- 51 20.49 eV View
- 52 21.27 eV View
- 53 26.68 eV View
- 54 26.85 eV View
- 55 27.26 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 57.33 cm-1 View
- 2 66.96 cm-1 View
- 3 105.70 cm-1 View
- 4 117.86 cm-1 View
- 5 170.66 cm-1 View
- 6 291.99 cm-1 View
- 7 295.56 cm-1 View
- 8 384.85 cm-1 View
- 9 414.97 cm-1 View
- 10 527.01 cm-1 View
- 11 571.02 cm-1 View
- 12 605.86 cm-1 View
- 13 612.37 cm-1 View
- 14 618.06 cm-1 View
- 15 797.64 cm-1 View
- 16 851.31 cm-1 View
- 17 944.10 cm-1 View
- 18 959.53 cm-1 View
- 19 961.77 cm-1 View
- 20 993.34 cm-1 View
- 21 1074.71 cm-1 View
- 22 1082.45 cm-1 View
- 23 1092.65 cm-1 View
- 24 1109.62 cm-1 View
- 25 1184.59 cm-1 View
- 26 1227.28 cm-1 View
- 27 1258.05 cm-1 View
- 28 1280.66 cm-1 View
- 29 1304.50 cm-1 View
- 30 1370.46 cm-1 View
- 31 1401.25 cm-1 View
- 32 1959.70 cm-1 View
- 33 1974.00 cm-1 View
- 34 2022.56 cm-1 View
- 35 2943.22 cm-1 View
- 36 2972.73 cm-1 View
- 37 2986.26 cm-1 View
- 38 3058.39 cm-1 View
- 39 3062.82 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -24.86 | kJ mol-1 |
| Polar Solvation Energy | -45.50 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.65 | kJ mol-1 |
| Surface Area | 134.21 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 6.57 | Debye |