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 | 79.01 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 88.93 | 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 | 2.03 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 35.28 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 142.54 | J mol-1 K-1 |
| Rotational | 58.46 | J mol-1 K-1 |
| Vibrational | 0.38 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 201.38 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 1072.41 | kJ mol-1 |
Molecular Orbitals
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -309.48 | kJ mol-1 |
| Polar Solvation Energy | -315.34 | kJ mol-1 |
| Nonpolar Solvation Energy | 5.85 | kJ mol-1 |
| Surface Area | 49.13 | Å2 |
| Charge of Molecule | 1 | |
| Dipole | 0.01 | Debye |