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 | 44.78 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 54.69 | 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 | 102.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 135.85 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.81 | J mol-1 K-1 |
| Rotational | 118.04 | J mol-1 K-1 |
| Vibrational | 105.20 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 394.05 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -814.89 | kJ mol-1 |
Molecular Orbitals
- 1 -2133.07 eV View
- 2 -675.80 eV View
- 3 -675.80 eV View
- 4 -675.80 eV View
- 5 -675.79 eV View
- 6 -675.78 eV View
- 7 -675.77 eV View
- 8 -181.70 eV View
- 9 -122.42 eV View
- 10 -122.42 eV View
- 11 -122.42 eV View
- 12 -16.82 eV View
- 13 -15.75 eV View
- 14 -15.75 eV View
- 15 -15.75 eV View
- 16 -15.22 eV View
- 17 -15.22 eV View
- 18 1.12 eV View
- 19 6.88 eV View
- 20 6.88 eV View
- 21 6.88 eV View
- 22 10.79 eV View
- 23 10.79 eV View
- 24 10.79 eV View
- 25 11.13 eV View
- 26 11.13 eV View
- 27 11.13 eV View
- 28 11.40 eV View
- 29 11.40 eV View
- 30 11.40 eV View
- 31 11.51 eV View
- 32 11.51 eV View
- 33 11.51 eV View
- 34 12.63 eV View
- 35 12.63 eV View
- 36 21.57 eV View
- 37 32.07 eV View
- 38 32.07 eV View
- 39 32.08 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 | -3 | |
| Dipole | 0.00 | Debye |