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 | 367.45 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 377.37 | 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 | 55.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 88.40 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 160.23 | J mol-1 K-1 |
| Rotational | 103.24 | J mol-1 K-1 |
| Vibrational | 43.38 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 306.85 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 1666.43 | kJ mol-1 |
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -845.53 | kJ mol-1 |
| Polar Solvation Energy | -862.58 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.05 | kJ mol-1 |
| Surface Area | 78.00 | Å2 |
| Charge of Molecule | 2 | |
| Dipole | 0.48 | Debye |