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 | 36.23 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 46.15 | 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 | 41.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 74.70 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.66 | J mol-1 K-1 |
| Rotational | 106.59 | J mol-1 K-1 |
| Vibrational | 24.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 296.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -568.79 | kJ mol-1 |
Molecular Orbitals
- 1 -2467.18 eV View
- 2 -529.08 eV View
- 3 -529.07 eV View
- 4 -529.07 eV View
- 5 -529.07 eV View
- 6 -231.68 eV View
- 7 -167.37 eV View
- 8 -167.37 eV View
- 9 -167.37 eV View
- 10 -21.89 eV View
- 11 -16.84 eV View
- 12 -16.84 eV View
- 13 -16.84 eV View
- 14 -4.12 eV View
- 15 0.04 eV View
- 16 0.04 eV View
- 17 0.04 eV View
- 18 5.96 eV View
- 19 5.96 eV View
- 20 6.88 eV View
- 21 6.88 eV View
- 22 6.88 eV View
- 23 7.84 eV View
- 24 7.84 eV View
- 25 7.84 eV View
- 26 29.52 eV View
- 27 29.67 eV View
- 28 29.67 eV View
- 29 29.67 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -999.11 | kJ mol-1 |
| Polar Solvation Energy | -1006.13 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.02 | kJ mol-1 |
| Surface Area | 88.87 | Å2 |
| Charge of Molecule | -2 | |
| Dipole | 0.01 | Debye |