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 | 41.85 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 51.77 | 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 | 12.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 45.68 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 160.22 | J mol-1 K-1 |
| Rotational | 96.38 | J mol-1 K-1 |
| Vibrational | 4.89 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 261.48 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -389.99 | kJ mol-1 |
Molecular Orbitals
- 1 -540.08 eV View
- 2 -540.08 eV View
- 3 -540.08 eV View
- 4 -418.03 eV View
- 5 -33.64 eV View
- 6 -26.06 eV View
- 7 -26.06 eV View
- 8 -11.76 eV View
- 9 -9.99 eV View
- 10 -8.35 eV View
- 11 -8.35 eV View
- 12 -0.91 eV View
- 13 -0.91 eV View
- 14 -0.38 eV View
- 15 0.25 eV View
- 16 0.25 eV View
- 17 15.67 eV View
- 18 27.66 eV View
- 19 31.96 eV View
- 20 31.96 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 | -288.51 | kJ mol-1 |
| Polar Solvation Energy | -294.57 | kJ mol-1 |
| Nonpolar Solvation Energy | 6.06 | kJ mol-1 |
| Surface Area | 71.25 | Å2 |
| Charge of Molecule | -1 | |
| Dipole | 0.00 | Debye |