aziridine molecular hydrogen
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 | 212.95 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 222.86 | 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 | 33.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 67.13 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 156.24 | J mol-1 K-1 |
| Rotational | 96.26 | J mol-1 K-1 |
| Vibrational | 51.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 303.78 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 76.09 | kJ mol-1 |
Molecular Orbitals
- 1 -417.03 eV View
- 2 -301.33 eV View
- 3 -301.33 eV View
- 4 -32.61 eV View
- 5 -23.40 eV View
- 6 -21.76 eV View
- 7 -17.67 eV View
- 8 -16.29 eV View
- 9 -16.23 eV View
- 10 -13.17 eV View
- 11 -11.85 eV View
- 12 -11.48 eV View
- 13 -8.75 eV View
- 14 12.67 eV View
- 15 15.35 eV View
- 16 16.56 eV View
- 17 18.28 eV View
- 18 18.56 eV View
- 19 19.41 eV View
- 20 21.65 eV View
- 21 21.76 eV View
- 22 22.05 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 1.78 cm-1 View
- 2 0.26 cm-1 View
- 3 22.76 cm-1 View
- 4 32.38 cm-1 View
- 5 35.05 cm-1 View
- 6 795.68 cm-1 View
- 7 868.36 cm-1 View
- 8 919.10 cm-1 View
- 9 929.52 cm-1 View
- 10 958.72 cm-1 View
- 11 1029.22 cm-1 View
- 12 1143.89 cm-1 View
- 13 1156.49 cm-1 View
- 14 1185.18 cm-1 View
- 15 1193.55 cm-1 View
- 16 1324.72 cm-1 View
- 17 1381.13 cm-1 View
- 18 1529.24 cm-1 View
- 19 3044.00 cm-1 View
- 20 3058.17 cm-1 View
- 21 3085.64 cm-1 View
- 22 3086.54 cm-1 View
- 23 3422.59 cm-1 View
- 24 4477.86 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 49.35 | kJ mol-1 |
| Polar Solvation Energy | -11.32 | kJ mol-1 |
| Nonpolar Solvation Energy | 60.65 | kJ mol-1 |
| Surface Area | 83.14 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.94 | Debye |