4,4-dimethylimidazolidine-2-thione
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 | 406.98 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 416.89 | 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 | 111.91 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 145.17 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.46 | J mol-1 K-1 |
| Rotational | 120.75 | J mol-1 K-1 |
| Vibrational | 87.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 377.21 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 44.15 | kJ mol-1 |
Molecular Orbitals
- 1 -2469.39 eV View
- 2 -418.59 eV View
- 3 -418.45 eV View
- 4 -303.97 eV View
- 5 -302.99 eV View
- 6 -302.56 eV View
- 7 -301.12 eV View
- 8 -301.02 eV View
- 9 -235.16 eV View
- 10 -170.86 eV View
- 11 -170.74 eV View
- 12 -170.69 eV View
- 13 -34.36 eV View
- 14 -30.79 eV View
- 15 -28.77 eV View
- 16 -25.40 eV View
- 17 -25.14 eV View
- 18 -23.74 eV View
- 19 -21.14 eV View
- 20 -20.27 eV View
- 21 -17.33 eV View
- 22 -17.05 eV View
- 23 -16.12 eV View
- 24 -15.99 eV View
- 25 -15.45 eV View
- 26 -14.88 eV View
- 27 -14.24 eV View
- 28 -13.68 eV View
- 29 -13.22 eV View
- 30 -12.68 eV View
- 31 -12.52 eV View
- 32 -11.28 eV View
- 33 -9.17 eV View
- 34 -6.60 eV View
- 35 -6.50 eV View
- 36 6.77 eV View
- 37 12.80 eV View
- 38 13.98 eV View
- 39 14.96 eV View
- 40 15.17 eV View
- 41 16.02 eV View
- 42 16.22 eV View
- 43 17.69 eV View
- 44 17.87 eV View
- 45 18.52 eV View
- 46 18.71 eV View
- 47 19.01 eV View
- 48 19.69 eV View
- 49 20.03 eV View
- 50 20.12 eV View
- 51 21.00 eV View
- 52 21.49 eV View
- 53 21.79 eV View
- 54 23.59 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 86.56 cm-1 View
- 2 149.51 cm-1 View
- 3 180.28 cm-1 View
- 4 201.72 cm-1 View
- 5 244.63 cm-1 View
- 6 333.96 cm-1 View
- 7 341.97 cm-1 View
- 8 446.54 cm-1 View
- 9 460.17 cm-1 View
- 10 471.52 cm-1 View
- 11 474.42 cm-1 View
- 12 581.20 cm-1 View
- 13 606.79 cm-1 View
- 14 639.31 cm-1 View
- 15 831.34 cm-1 View
- 16 904.63 cm-1 View
- 17 919.97 cm-1 View
- 18 946.12 cm-1 View
- 19 962.74 cm-1 View
- 20 985.90 cm-1 View
- 21 990.46 cm-1 View
- 22 1029.98 cm-1 View
- 23 1069.92 cm-1 View
- 24 1132.36 cm-1 View
- 25 1237.07 cm-1 View
- 26 1253.86 cm-1 View
- 27 1282.69 cm-1 View
- 28 1292.68 cm-1 View
- 29 1343.51 cm-1 View
- 30 1375.51 cm-1 View
- 31 1391.72 cm-1 View
- 32 1396.87 cm-1 View
- 33 1398.25 cm-1 View
- 34 1401.18 cm-1 View
- 35 1404.71 cm-1 View
- 36 1411.56 cm-1 View
- 37 1414.32 cm-1 View
- 38 1444.51 cm-1 View
- 39 2940.25 cm-1 View
- 40 3007.98 cm-1 View
- 41 3078.47 cm-1 View
- 42 3081.33 cm-1 View
- 43 3081.50 cm-1 View
- 44 3083.01 cm-1 View
- 45 3176.78 cm-1 View
- 46 3178.05 cm-1 View
- 47 3407.82 cm-1 View
- 48 3408.72 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -35.12 | kJ mol-1 |
| Polar Solvation Energy | -61.96 | kJ mol-1 |
| Nonpolar Solvation Energy | 26.88 | kJ mol-1 |
| Surface Area | 130.47 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 9.43 | Debye |