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 | 83.40 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 93.32 | 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 | 28.55 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 61.81 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 157.53 | J mol-1 K-1 |
| Rotational | 90.37 | J mol-1 K-1 |
| Vibrational | 21.17 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 269.08 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -114.50 | 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 | -9.82 | kJ mol-1 |
| Polar Solvation Energy | -14.63 | kJ mol-1 |
| Nonpolar Solvation Energy | 4.81 | kJ mol-1 |
| Surface Area | 65.96 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.03 | Debye |