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 | 36.23 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 46.15 | 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 | 41.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 74.69 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.66 | J mol-1 K-1 |
| Rotational | 106.59 | J mol-1 K-1 |
| Vibrational | 24.00 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 296.25 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -568.79 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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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 | -997.80 | kJ mol-1 |
| Polar Solvation Energy | -1005.75 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.98 | kJ mol-1 |
| Surface Area | 88.32 | Å2 |
| Charge of Molecule | -2 | |
| Dipole | 0.01 | Debye |