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 | 86.57 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 96.48 | 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 | 18.23 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 51.49 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 155.37 | J mol-1 K-1 |
| Rotational | 82.15 | J mol-1 K-1 |
| Vibrational | 9.00 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 246.52 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 198.24 | 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 | -10.19 | kJ mol-1 |
| Polar Solvation Energy | -17.82 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.65 | kJ mol-1 |
| Surface Area | 66.95 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.25 | Debye |