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 | 36.36 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 46.28 | 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 | 18.38 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 51.64 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.37 | J mol-1 K-1 |
| Rotational | 98.58 | J mol-1 K-1 |
| Vibrational | 9.32 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 269.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 932.37 | kJ mol-1 |
Molecular Orbitals
- 1 -722.10 eV View
- 2 -722.10 eV View
- 3 -570.23 eV View
- 4 -440.61 eV View
- 5 -57.08 eV View
- 6 -53.19 eV View
- 7 -51.86 eV View
- 8 -35.64 eV View
- 9 -31.57 eV View
- 10 -30.70 eV View
- 11 -30.17 eV View
- 12 -25.64 eV View
- 13 -25.53 eV View
- 14 -25.26 eV View
- 15 -23.58 eV View
- 16 -23.39 eV View
- 17 -6.15 eV View
- 18 -0.35 eV View
- 19 3.16 eV View
- 20 11.33 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 | 1 | |
| Dipole | 0.00 | Debye |