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 | 812.69 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 822.60 | 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 | 180.10 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 213.36 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.57 | J mol-1 K-1 |
| Rotational | 128.71 | J mol-1 K-1 |
| Vibrational | 171.63 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 470.91 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -252.90 | kJ mol-1 |
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 25.62 | kJ mol-1 |
| Polar Solvation Energy | -1.09 | kJ mol-1 |
| Nonpolar Solvation Energy | 26.71 | kJ mol-1 |
| Surface Area | 143.43 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.05 | Debye |