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 | 3.42 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 12.09 | 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 | 5.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 34.71 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.38 | J mol-1 K-1 |
| Rotational | 64.17 | J mol-1 K-1 |
| Vibrational | 3.22 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 226.77 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -214.57 | kJ mol-1 |
Molecular Orbitals
- 1 -3589.87 eV View
- 2 -695.39 eV View
- 3 -385.12 eV View
- 4 -306.32 eV View
- 5 -306.32 eV View
- 6 -306.30 eV View
- 7 -45.34 eV View
- 8 -31.75 eV View
- 9 -24.01 eV View
- 10 -24.01 eV View
- 11 -23.73 eV View
- 12 -5.73 eV View
- 13 -5.73 eV View
- 14 -3.99 eV View
- 15 4.85 eV View
- 16 9.65 eV View
- 17 9.65 eV View
- 18 13.82 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 |