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 | 135.38 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 145.29 | 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 | 29.49 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 62.74 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.27 | J mol-1 K-1 |
| Rotational | 96.95 | J mol-1 K-1 |
| Vibrational | 16.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 271.72 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 209.73 | kJ mol-1 |
Molecular Orbitals
- 1 -417.78 eV View
- 2 -301.77 eV View
- 3 -301.39 eV View
- 4 -301.11 eV View
- 5 -31.76 eV View
- 6 -28.22 eV View
- 7 -22.42 eV View
- 8 -18.26 eV View
- 9 -16.49 eV View
- 10 -14.32 eV View
- 11 -12.78 eV View
- 12 -12.70 eV View
- 13 -11.13 eV View
- 14 -9.10 eV View
- 15 6.07 eV View
- 16 9.61 eV View
- 17 12.25 eV View
- 18 15.38 eV View
- 19 17.07 eV View
- 20 18.16 eV View
- 21 23.36 eV View
- 22 26.35 eV View
- 23 36.91 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -7.01 | kJ mol-1 |
| Polar Solvation Energy | -15.64 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.61 | kJ mol-1 |
| Surface Area | 84.12 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.21 | Debye |