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 | 45.94 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 55.85 | 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 | 60.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 93.55 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.86 | J mol-1 K-1 |
| Rotational | 110.47 | J mol-1 K-1 |
| Vibrational | 43.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 323.02 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -959.24 | kJ mol-1 |
Molecular Orbitals
- 1 -2490.49 eV View
- 2 -706.65 eV View
- 3 -706.65 eV View
- 4 -706.65 eV View
- 5 -704.31 eV View
- 6 -547.66 eV View
- 7 -254.12 eV View
- 8 -189.86 eV View
- 9 -189.83 eV View
- 10 -189.83 eV View
- 11 -46.29 eV View
- 12 -43.30 eV View
- 13 -43.30 eV View
- 14 -40.90 eV View
- 15 -37.17 eV View
- 16 -24.50 eV View
- 17 -21.08 eV View
- 18 -21.08 eV View
- 19 -17.96 eV View
- 20 -15.92 eV View
- 21 -15.92 eV View
- 22 -14.96 eV View
- 23 -14.78 eV View
- 24 -14.78 eV View
- 25 -13.00 eV View
- 26 -12.86 eV View
- 27 -12.86 eV View
- 28 -10.27 eV View
- 29 -9.68 eV View
- 30 -9.68 eV View
- 31 8.72 eV View
- 32 9.68 eV View
- 33 9.68 eV View
- 34 18.52 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 |