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 | 107.58 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 117.50 | 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 | 26.52 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 59.78 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.50 | J mol-1 K-1 |
| Rotational | 95.65 | J mol-1 K-1 |
| Vibrational | 27.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 281.65 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -175.11 | kJ mol-1 |
Molecular Orbitals
- 1 -1086.64 eV View
- 2 -545.94 eV View
- 3 -299.63 eV View
- 4 -72.78 eV View
- 5 -35.95 eV View
- 6 -35.85 eV View
- 7 -35.83 eV View
- 8 -30.60 eV View
- 9 -21.02 eV View
- 10 -13.58 eV View
- 11 -13.58 eV View
- 12 -10.31 eV View
- 13 -5.73 eV View
- 14 -5.15 eV View
- 15 3.74 eV View
- 16 8.79 eV View
- 17 8.82 eV View
- 18 14.08 eV View
- 19 20.66 eV View
- 20 20.73 eV View
- 21 21.52 eV View
- 22 23.90 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 | 0 | |
| Dipole | 0.00 | Debye |