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 | 28.95 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 37.62 | 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 | 12.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 41.58 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 153.44 | J mol-1 K-1 |
| Rotational | 59.78 | J mol-1 K-1 |
| Vibrational | 7.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 220.98 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 863.80 | 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 | 7.92 | kJ mol-1 |
| Polar Solvation Energy | -4.44 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.37 | kJ mol-1 |
| Surface Area | 74.04 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |