Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 2.48 | kJ mol-1 |
| Vibrational | 12.68 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 21.36 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 8.31 | J mol-1 K-1 |
| Vibrational | 0.03 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 29.13 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.39 | J mol-1 K-1 |
| Rotational | 35.55 | J mol-1 K-1 |
| Vibrational | 0.00 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 198.94 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 22.21 | kJ mol-1 |
Molecular Orbitals
- 1 -13191.74 eV View
- 2 -1733.89 eV View
- 3 -1574.20 eV View
- 4 -1574.13 eV View
- 5 -1574.13 eV View
- 6 -250.69 eV View
- 7 -187.98 eV View
- 8 -187.61 eV View
- 9 -187.61 eV View
- 10 -62.41 eV View
- 11 -62.27 eV View
- 12 -62.27 eV View
- 13 -61.90 eV View
- 14 -61.90 eV View
- 15 -24.04 eV View
- 16 -13.03 eV View
- 17 -9.01 eV View
- 18 -9.01 eV View
- 19 9.94 eV View
- 20 2908.16 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 |