Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 2.48 | kJ mol-1 |
| Vibrational | 15.54 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 24.22 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 8.31 | J mol-1 K-1 |
| Vibrational | 0.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 29.11 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 151.16 | J mol-1 K-1 |
| Rotational | 47.08 | J mol-1 K-1 |
| Vibrational | 0.00 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 198.24 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 995.91 | 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 | -320.89 | kJ mol-1 |
| Polar Solvation Energy | -326.72 | kJ mol-1 |
| Nonpolar Solvation Energy | 5.81 | kJ mol-1 |
| Surface Area | 50.89 | Å2 |
| Charge of Molecule | 1 | |
| Dipole | 0.27 | Debye |