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 | 427.80 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 437.71 | 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 | 118.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 152.03 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.84 | J mol-1 K-1 |
| Rotational | 120.80 | J mol-1 K-1 |
| Vibrational | 83.30 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 373.93 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -753.17 | kJ mol-1 |
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -8.65 | kJ mol-1 |
| Polar Solvation Energy | -26.24 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.60 | kJ mol-1 |
| Surface Area | 114.06 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.32 | Debye |