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 | 34.88 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 44.79 | 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 | 45.26 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 78.51 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.13 | J mol-1 K-1 |
| Rotational | 109.56 | J mol-1 K-1 |
| Vibrational | 32.78 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 307.48 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 1854.02 | kJ mol-1 |
Molecular Orbitals
- 1 -1817.83 eV View
- 2 -510.18 eV View
- 3 -510.18 eV View
- 4 -510.18 eV View
- 5 -510.18 eV View
- 6 -131.39 eV View
- 7 -77.66 eV View
- 8 -77.66 eV View
- 9 -77.66 eV View
- 10 -0.55 eV View
- 11 1.03 eV View
- 12 1.03 eV View
- 13 1.03 eV View
- 14 15.87 eV View
- 15 19.21 eV View
- 16 19.21 eV View
- 17 19.22 eV View
- 18 22.68 eV View
- 19 22.68 eV View
- 20 23.05 eV View
- 21 23.05 eV View
- 22 23.05 eV View
- 23 24.30 eV View
- 24 24.30 eV View
- 25 24.30 eV View
- 26 43.66 eV View
- 27 44.86 eV View
- 28 44.86 eV View
- 29 44.86 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 | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | -4 | |
| Dipole | 0.00 | Debye |