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 | 22.73 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 32.65 | 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 | 30.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 63.70 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.29 | J mol-1 K-1 |
| Rotational | 101.63 | J mol-1 K-1 |
| Vibrational | 21.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 286.97 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -577.61 | kJ mol-1 |
Molecular Orbitals
- 1 -2483.28 eV View
- 2 -706.48 eV View
- 3 -706.47 eV View
- 4 -547.81 eV View
- 5 -247.78 eV View
- 6 -183.45 eV View
- 7 -183.43 eV View
- 8 -183.33 eV View
- 9 -43.79 eV View
- 10 -41.82 eV View
- 11 -35.34 eV View
- 12 -23.35 eV View
- 13 -18.11 eV View
- 14 -18.08 eV View
- 15 -16.47 eV View
- 16 -14.72 eV View
- 17 -13.73 eV View
- 18 -13.71 eV View
- 19 -11.24 eV View
- 20 -8.87 eV View
- 21 -8.39 eV View
- 22 7.77 eV View
- 23 9.65 eV View
- 24 15.50 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |