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 | 437.07 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 446.98 | 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 | 103.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 136.69 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.93 | J mol-1 K-1 |
| Rotational | 121.37 | J mol-1 K-1 |
| Vibrational | 100.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 390.00 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -590.42 | 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 | -282.86 | kJ mol-1 |
| Polar Solvation Energy | -303.76 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.90 | kJ mol-1 |
| Surface Area | 126.53 | Å2 |
| Charge of Molecule | -1 | |
| Dipole | 14.94 | Debye |