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 | 25.22 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 35.13 | 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 | 25.96 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 59.22 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.66 | J mol-1 K-1 |
| Rotational | 109.77 | J mol-1 K-1 |
| Vibrational | 17.36 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 292.79 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 2459.05 | kJ mol-1 |
Molecular Orbitals
- 1 -2444.58 eV View
- 2 -507.78 eV View
- 3 -507.78 eV View
- 4 -507.78 eV View
- 5 -507.78 eV View
- 6 -209.97 eV View
- 7 -145.49 eV View
- 8 -145.49 eV View
- 9 -145.49 eV View
- 10 -1.34 eV View
- 11 1.76 eV View
- 12 1.76 eV View
- 13 1.76 eV View
- 14 10.19 eV View
- 15 18.04 eV View
- 16 18.04 eV View
- 17 18.04 eV View
- 18 23.59 eV View
- 19 23.59 eV View
- 20 23.91 eV View
- 21 23.91 eV View
- 22 23.91 eV View
- 23 24.61 eV View
- 24 24.61 eV View
- 25 24.61 eV View
- 26 34.81 eV View
- 27 41.87 eV View
- 28 41.87 eV View
- 29 41.87 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 | -3807.60 | kJ mol-1 |
| Polar Solvation Energy | -3821.29 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.71 | kJ mol-1 |
| Surface Area | 95.49 | Å2 |
| Charge of Molecule | -4 | |
| Dipole | 0.17 | Debye |