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 | 87.66 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 97.58 | 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 | 21.31 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 54.57 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.00 | J mol-1 K-1 |
| Rotational | 97.98 | J mol-1 K-1 |
| Vibrational | 11.90 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 270.87 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -44.31 | kJ mol-1 |
Molecular Orbitals
- 1 -554.84 eV View
- 2 -554.82 eV View
- 3 -553.46 eV View
- 4 -553.46 eV View
- 5 -40.68 eV View
- 6 -37.21 eV View
- 7 -32.33 eV View
- 8 -27.71 eV View
- 9 -17.89 eV View
- 10 -16.63 eV View
- 11 -16.37 eV View
- 12 -13.80 eV View
- 13 -13.53 eV View
- 14 -13.06 eV View
- 15 -11.53 eV View
- 16 -10.69 eV View
- 17 -8.95 eV View
- 18 11.32 eV View
- 19 12.18 eV View
- 20 12.38 eV View
- 21 17.34 eV View
- 22 17.37 eV View
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 | -12.74 | kJ mol-1 |
| Polar Solvation Energy | -19.91 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.15 | kJ mol-1 |
| Surface Area | 72.23 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |