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 | 418.90 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 428.82 | 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 | 85.39 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 118.65 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.44 | J mol-1 K-1 |
| Rotational | 107.34 | J mol-1 K-1 |
| Vibrational | 61.95 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 331.72 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 624.60 | kJ mol-1 |
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -184.96 | kJ mol-1 |
| Polar Solvation Energy | -199.31 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.34 | kJ mol-1 |
| Surface Area | 87.22 | Å2 |
| Charge of Molecule | 1 | |
| Dipole | 0.02 | Debye |