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 | 228.84 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 238.76 | 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 | 46.08 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 79.33 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.56 | J mol-1 K-1 |
| Rotational | 107.11 | J mol-1 K-1 |
| Vibrational | 20.46 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 291.13 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 720.89 | kJ mol-1 |
Molecular Orbitals
- 1 -563.80 eV View
- 2 -310.33 eV View
- 3 -310.32 eV View
- 4 -308.75 eV View
- 5 -307.67 eV View
- 6 -307.67 eV View
- 7 -46.22 eV View
- 8 -35.84 eV View
- 9 -34.28 eV View
- 10 -29.56 eV View
- 11 -29.31 eV View
- 12 -25.74 eV View
- 13 -23.96 eV View
- 14 -23.09 eV View
- 15 -22.63 eV View
- 16 -22.09 eV View
- 17 -22.06 eV View
- 18 -19.47 eV View
- 19 -18.72 eV View
- 20 -16.77 eV View
- 21 -15.23 eV View
- 22 -2.38 eV View
- 23 0.05 eV View
- 24 5.43 eV View
- 25 7.61 eV View
- 26 9.30 eV View
- 27 9.37 eV View
- 28 11.40 eV View
- 29 11.77 eV View
- 30 13.10 eV View
- 31 15.40 eV View
- 32 16.12 eV View
- 33 16.49 eV View
- 34 20.94 eV View
- 35 21.65 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -194.06 | kJ mol-1 |
| Polar Solvation Energy | -207.21 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.13 | kJ mol-1 |
| Surface Area | 82.11 | Å2 |
| Charge of Molecule | 1 | |
| Dipole | 0.05 | Debye |