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 | 31.98 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 41.90 | 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 | 18.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 51.70 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.91 | J mol-1 K-1 |
| Rotational | 99.16 | J mol-1 K-1 |
| Vibrational | 8.95 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 270.01 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -101.93 | kJ mol-1 |
Molecular Orbitals
- 1 -708.65 eV View
- 2 -708.64 eV View
- 3 -708.64 eV View
- 4 -424.28 eV View
- 5 -45.81 eV View
- 6 -41.93 eV View
- 7 -41.93 eV View
- 8 -26.66 eV View
- 9 -18.97 eV View
- 10 -18.97 eV View
- 11 -18.83 eV View
- 12 -15.32 eV View
- 13 -15.32 eV View
- 14 -14.36 eV View
- 15 -13.74 eV View
- 16 -13.74 eV View
- 17 -10.24 eV View
- 18 13.05 eV View
- 19 13.42 eV View
- 20 13.43 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 |