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 | 41.85 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 51.77 | 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 | 0.35 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 33.61 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 151.58 | J mol-1 K-1 |
| Rotational | 67.60 | J mol-1 K-1 |
| Vibrational | 0.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 219.23 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 57.75 | 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 | -7.77 | kJ mol-1 |
| Polar Solvation Energy | -12.67 | kJ mol-1 |
| Nonpolar Solvation Energy | 4.89 | kJ mol-1 |
| Surface Area | 53.38 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.99 | Debye |