1,3-dihydroimidazol-2-one
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 | 199.19 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 209.10 | 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 | 52.19 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 85.45 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.01 | J mol-1 K-1 |
| Rotational | 107.64 | J mol-1 K-1 |
| Vibrational | 29.47 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 301.12 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -85.33 | kJ mol-1 |
Molecular Orbitals
- 1 -549.30 eV View
- 2 -418.21 eV View
- 3 -418.20 eV View
- 4 -304.16 eV View
- 5 -301.04 eV View
- 6 -301.02 eV View
- 7 -35.56 eV View
- 8 -32.87 eV View
- 9 -30.26 eV View
- 10 -25.43 eV View
- 11 -21.43 eV View
- 12 -20.49 eV View
- 13 -17.41 eV View
- 14 -16.41 eV View
- 15 -15.25 eV View
- 16 -14.87 eV View
- 17 -14.63 eV View
- 18 -12.98 eV View
- 19 -10.42 eV View
- 20 -10.33 eV View
- 21 -8.54 eV View
- 22 -5.63 eV View
- 23 8.82 eV View
- 24 9.71 eV View
- 25 14.47 eV View
- 26 16.27 eV View
- 27 16.38 eV View
- 28 17.49 eV View
- 29 18.81 eV View
- 30 19.63 eV View
- 31 21.51 eV View
- 32 23.92 eV View
- 33 28.61 eV View
- 34 28.97 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 170.71 cm-1 View
- 2 402.57 cm-1 View
- 3 411.90 cm-1 View
- 4 513.40 cm-1 View
- 5 567.24 cm-1 View
- 6 646.54 cm-1 View
- 7 734.27 cm-1 View
- 8 781.87 cm-1 View
- 9 812.70 cm-1 View
- 10 888.83 cm-1 View
- 11 965.59 cm-1 View
- 12 1059.17 cm-1 View
- 13 1101.47 cm-1 View
- 14 1171.26 cm-1 View
- 15 1213.60 cm-1 View
- 16 1319.98 cm-1 View
- 17 1376.33 cm-1 View
- 18 1418.58 cm-1 View
- 19 1700.40 cm-1 View
- 20 1920.85 cm-1 View
- 21 3108.46 cm-1 View
- 22 3126.23 cm-1 View
- 23 3456.54 cm-1 View
- 24 3460.30 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -20.98 | kJ mol-1 |
| Polar Solvation Energy | -31.79 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.83 | kJ mol-1 |
| Surface Area | 85.28 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.76 | Debye |