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 | 3.07 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 11.75 | 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 | 6.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 35.61 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.80 | J mol-1 K-1 |
| Rotational | 68.61 | J mol-1 K-1 |
| Vibrational | 4.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 241.11 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -13.34 | kJ mol-1 |
Molecular Orbitals
- 1 -13193.49 eV View
- 2 -2820.48 eV View
- 3 -1735.61 eV View
- 4 -1575.94 eV View
- 5 -1575.85 eV View
- 6 -1575.85 eV View
- 7 -281.75 eV View
- 8 -252.36 eV View
- 9 -212.17 eV View
- 10 -211.99 eV View
- 11 -211.99 eV View
- 12 -189.69 eV View
- 13 -189.24 eV View
- 14 -189.24 eV View
- 15 -64.13 eV View
- 16 -63.97 eV View
- 17 -63.97 eV View
- 18 -63.52 eV View
- 19 -63.52 eV View
- 20 -28.68 eV View
- 21 -22.76 eV View
- 22 -12.36 eV View
- 23 -12.18 eV View
- 24 -12.18 eV View
- 25 -9.23 eV View
- 26 -9.23 eV View
- 27 4.16 eV View
- 28 2905.86 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 |