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 | 77.28 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 87.20 | 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 | 8.03 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 41.29 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 142.54 | J mol-1 K-1 |
| Rotational | 58.34 | J mol-1 K-1 |
| Vibrational | 6.10 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 206.98 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 215.34 | kJ mol-1 |
Molecular Orbitals
Aqueous Solvation Energy at 298.15 K
| Surface |
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| Dipole |
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| Translucent Molecule |
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| Property | Value | Unit |
| Total Solvation Energy | -336.23 | kJ mol-1 |
| Polar Solvation Energy | -341.84 | kJ mol-1 |
| Nonpolar Solvation Energy | 5.60 | kJ mol-1 |
| Surface Area | 48.22 | Å2 |
| Charge of Molecule | -1 | |
| Dipole | 1.71 | Debye |