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 | 17.26 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 25.94 | 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 | 18.95 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 48.05 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.80 | J mol-1 K-1 |
| Rotational | 58.92 | J mol-1 K-1 |
| Vibrational | 18.25 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 236.97 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -371.66 | kJ mol-1 |
Molecular Orbitals
- 1 -1852.41 eV View
- 2 -549.91 eV View
- 3 -549.89 eV View
- 4 -165.87 eV View
- 5 -112.24 eV View
- 6 -112.03 eV View
- 7 -112.03 eV View
- 8 -33.88 eV View
- 9 -33.17 eV View
- 10 -14.12 eV View
- 11 -12.62 eV View
- 12 -12.62 eV View
- 13 -10.77 eV View
- 14 -8.77 eV View
- 15 -8.77 eV View
- 16 5.38 eV View
- 17 6.02 eV View
- 18 6.02 eV View
- 19 22.47 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
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| 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 |