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 | 335.45 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 345.36 | 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 | 122.26 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 155.52 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.38 | J mol-1 K-1 |
| Rotational | 122.27 | J mol-1 K-1 |
| Vibrational | 123.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 416.12 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -744.41 | kJ mol-1 |
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -26.35 | kJ mol-1 |
| Polar Solvation Energy | -44.43 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.06 | kJ mol-1 |
| Surface Area | 119.09 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.80 | Debye |