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 | 16.29 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 24.96 | 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 | 0.00 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 29.10 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.25 | J mol-1 K-1 |
| Rotational | 37.77 | J mol-1 K-1 |
| Vibrational | 0.00 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 207.02 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 120.41 | kJ mol-1 |
Molecular Orbitals
- 1 -31697.85 eV View
- 2 -4852.09 eV View
- 3 -4588.21 eV View
- 4 -4588.19 eV View
- 5 -4588.19 eV View
- 6 -976.85 eV View
- 7 -887.02 eV View
- 8 -886.90 eV View
- 9 -886.90 eV View
- 10 -639.60 eV View
- 11 -639.57 eV View
- 12 -639.57 eV View
- 13 -639.46 eV View
- 14 -639.46 eV View
- 15 -179.59 eV View
- 16 -140.77 eV View
- 17 -140.33 eV View
- 18 -140.33 eV View
- 19 -53.98 eV View
- 20 -53.81 eV View
- 21 -53.81 eV View
- 22 -53.42 eV View
- 23 -53.42 eV View
- 24 -19.53 eV View
- 25 -11.62 eV View
- 26 -7.93 eV View
- 27 -7.93 eV View
- 28 8.38 eV View
- 29 353.60 eV View
- 30 10639.44 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 |