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 | 189.80 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 199.71 | 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 | 46.14 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 79.39 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.40 | J mol-1 K-1 |
| Rotational | 105.75 | J mol-1 K-1 |
| Vibrational | 31.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 300.71 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -282.67 | kJ mol-1 |
Molecular Orbitals
- 1 -2818.45 eV View
- 2 -552.34 eV View
- 3 -303.95 eV View
- 4 -301.29 eV View
- 5 -279.83 eV View
- 6 -210.24 eV View
- 7 -210.10 eV View
- 8 -210.09 eV View
- 9 -36.57 eV View
- 10 -28.42 eV View
- 11 -25.75 eV View
- 12 -21.88 eV View
- 13 -17.11 eV View
- 14 -16.67 eV View
- 15 -15.61 eV View
- 16 -14.14 eV View
- 17 -13.89 eV View
- 18 -11.86 eV View
- 19 -10.11 eV View
- 20 -9.66 eV View
- 21 -9.60 eV View
- 22 9.84 eV View
- 23 15.01 eV View
- 24 16.32 eV View
- 25 17.58 eV View
- 26 18.69 eV View
- 27 19.47 eV View
- 28 19.88 eV View
- 29 20.87 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 |