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 | 3.21 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 11.88 | 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 | 6.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 35.25 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.41 | J mol-1 K-1 |
| Rotational | 68.23 | J mol-1 K-1 |
| Vibrational | 4.03 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 234.66 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -251.90 | kJ mol-1 |
Molecular Orbitals
- 1 -3590.60 eV View
- 2 -2811.45 eV View
- 3 -385.83 eV View
- 4 -307.04 eV View
- 5 -307.04 eV View
- 6 -307.02 eV View
- 7 -273.38 eV View
- 8 -203.73 eV View
- 9 -203.67 eV View
- 10 -203.67 eV View
- 11 -46.07 eV View
- 12 -25.14 eV View
- 13 -24.74 eV View
- 14 -24.74 eV View
- 15 -21.17 eV View
- 16 -5.83 eV View
- 17 -5.83 eV View
- 18 -5.75 eV View
- 19 4.43 eV View
- 20 9.29 eV View
- 21 9.29 eV View
- 22 13.22 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 |