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 | 135.37 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 145.29 | 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 | 29.50 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 62.76 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.27 | J mol-1 K-1 |
| Rotational | 96.95 | J mol-1 K-1 |
| Vibrational | 16.53 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 271.74 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 209.68 | kJ mol-1 |
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -4.92 | kJ mol-1 |
| Polar Solvation Energy | -15.62 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.74 | kJ mol-1 |
| Surface Area | 82.32 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.21 | Debye |