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 | 24.39 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 34.31 | 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 | 3.75 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 37.01 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 156.49 | J mol-1 K-1 |
| Rotational | 84.50 | J mol-1 K-1 |
| Vibrational | 1.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 242.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -179.37 | kJ mol-1 |
Molecular Orbitals
Vibrational Frequencies
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 | -300.22 | kJ mol-1 |
| Polar Solvation Energy | -306.06 | kJ mol-1 |
| Nonpolar Solvation Energy | 5.85 | kJ mol-1 |
| Surface Area | 61.22 | Å2 |
| Charge of Molecule | -1 | |
| Dipole | 0.94 | Debye |