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 | 89.74 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 99.65 | 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 | 44.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 78.20 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.55 | J mol-1 K-1 |
| Rotational | 103.55 | J mol-1 K-1 |
| Vibrational | 31.04 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 298.13 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -958.26 | kJ mol-1 |
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 | -292.58 | kJ mol-1 |
| Polar Solvation Energy | -297.74 | kJ mol-1 |
| Nonpolar Solvation Energy | 5.18 | kJ mol-1 |
| Surface Area | 81.91 | Å2 |
| Charge of Molecule | -1 | |
| Dipole | 1.49 | Debye |