Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 2.48 | kJ mol-1 |
| Vibrational | 49.85 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 58.52 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 8.31 | J mol-1 K-1 |
| Vibrational | 23.86 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 52.96 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.03 | J mol-1 K-1 |
| Rotational | 62.29 | J mol-1 K-1 |
| Vibrational | 16.47 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 236.79 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 323.95 | kJ mol-1 |
Molecular Orbitals
- 1 -420.28 eV View
- 2 -420.27 eV View
- 3 -303.47 eV View
- 4 -303.46 eV View
- 5 -33.76 eV View
- 6 -33.17 eV View
- 7 -24.33 eV View
- 8 -15.05 eV View
- 9 -14.92 eV View
- 10 -14.92 eV View
- 11 -14.38 eV View
- 12 -11.71 eV View
- 13 -11.71 eV View
- 14 5.32 eV View
- 15 5.32 eV View
- 16 12.22 eV View
- 17 12.22 eV View
- 18 13.42 eV View
- 19 28.81 eV View
- 20 40.10 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 | -8.52 | kJ mol-1 |
| Polar Solvation Energy | -15.97 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.44 | kJ mol-1 |
| Surface Area | 82.56 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |