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 | 285.86 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 295.78 | 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 | 90.89 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 124.15 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.25 | J mol-1 K-1 |
| Rotational | 118.03 | J mol-1 K-1 |
| Vibrational | 85.99 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 372.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -502.82 | kJ mol-1 |
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -17.87 | kJ mol-1 |
| Polar Solvation Energy | -32.34 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.46 | kJ mol-1 |
| Surface Area | 112.68 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.41 | Debye |