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 | 133.68 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 143.60 | 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 | 35.60 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 68.86 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.60 | J mol-1 K-1 |
| Rotational | 99.02 | J mol-1 K-1 |
| Vibrational | 18.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 277.43 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -186.99 | kJ mol-1 |
Molecular Orbitals
- 1 -545.01 eV View
- 2 -405.15 eV View
- 3 -404.84 eV View
- 4 -295.03 eV View
- 5 -29.68 eV View
- 6 -22.60 eV View
- 7 -19.99 eV View
- 8 -12.81 eV View
- 9 -9.63 eV View
- 10 -7.14 eV View
- 11 -7.04 eV View
- 12 -5.43 eV View
- 13 -2.79 eV View
- 14 -1.99 eV View
- 15 -0.02 eV View
- 16 1.99 eV View
- 17 17.46 eV View
- 18 22.78 eV View
- 19 25.74 eV View
- 20 27.76 eV View
- 21 28.43 eV View
- 22 30.37 eV View
- 23 36.38 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 | -285.95 | kJ mol-1 |
| Polar Solvation Energy | -292.78 | kJ mol-1 |
| Nonpolar Solvation Energy | 6.86 | kJ mol-1 |
| Surface Area | 76.16 | Å2 |
| Charge of Molecule | -1 | |
| Dipole | 1.52 | Debye |