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 | 53.52 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 63.44 | 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 | 7.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 40.77 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 156.22 | J mol-1 K-1 |
| Rotational | 86.57 | J mol-1 K-1 |
| Vibrational | 2.66 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 245.45 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -463.58 | 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 | -307.07 | kJ mol-1 |
| Polar Solvation Energy | -314.65 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.57 | kJ mol-1 |
| Surface Area | 57.66 | Å2 |
| Charge of Molecule | -1 | |
| Dipole | 2.46 | Debye |