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 | 96.55 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 106.47 | 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 | 40.75 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 74.01 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.85 | J mol-1 K-1 |
| Rotational | 104.36 | J mol-1 K-1 |
| Vibrational | 30.98 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 299.19 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -126.59 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.23 eV View
- 2 -553.69 eV View
- 3 -553.69 eV View
- 4 -421.69 eV View
- 5 -281.43 eV View
- 6 -211.85 eV View
- 7 -211.69 eV View
- 8 -211.68 eV View
- 9 -39.47 eV View
- 10 -35.75 eV View
- 11 -29.33 eV View
- 12 -23.92 eV View
- 13 -18.48 eV View
- 14 -16.86 eV View
- 15 -16.10 eV View
- 16 -14.70 eV View
- 17 -12.15 eV View
- 18 -11.71 eV View
- 19 -10.71 eV View
- 20 -10.54 eV View
- 21 -8.88 eV View
- 22 8.23 eV View
- 23 13.89 eV View
- 24 14.53 eV View
- 25 17.42 eV View
- 26 17.46 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 |