Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 2.48 | kJ mol-1 |
| Vibrational | 29.24 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 37.92 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 8.31 | J mol-1 K-1 |
| Vibrational | 10.99 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 40.09 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 155.36 | J mol-1 K-1 |
| Rotational | 60.67 | J mol-1 K-1 |
| Vibrational | 5.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 221.63 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -186.52 | kJ mol-1 |
Molecular Orbitals
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 | -290.49 | kJ mol-1 |
| Polar Solvation Energy | -296.71 | kJ mol-1 |
| Nonpolar Solvation Energy | 6.23 | kJ mol-1 |
| Surface Area | 63.69 | Å2 |
| Charge of Molecule | -1 | |
| Dipole | 1.88 | Debye |