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 | 405.23 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 415.14 | 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 | 76.66 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 109.92 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.83 | J mol-1 K-1 |
| Rotational | 110.29 | J mol-1 K-1 |
| Vibrational | 118.37 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 388.48 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -154.62 | kJ mol-1 |
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 27.13 | kJ mol-1 |
| Polar Solvation Energy | -0.67 | kJ mol-1 |
| Nonpolar Solvation Energy | 27.80 | kJ mol-1 |
| Surface Area | 101.43 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |