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 | 440.02 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 449.94 | 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 | 111.00 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 144.25 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.93 | J mol-1 K-1 |
| Rotational | 121.68 | J mol-1 K-1 |
| Vibrational | 123.90 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 413.51 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -592.87 | 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 | -278.98 | kJ mol-1 |
| Polar Solvation Energy | -304.75 | kJ mol-1 |
| Nonpolar Solvation Energy | 25.75 | kJ mol-1 |
| Surface Area | 121.82 | Å2 |
| Charge of Molecule | -1 | |
| Dipole | 14.70 | Debye |