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 | 53.06 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 62.98 | 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 | 30.26 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 63.52 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.08 | J mol-1 K-1 |
| Rotational | 100.00 | J mol-1 K-1 |
| Vibrational | 18.08 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 280.15 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -147.79 | kJ mol-1 |
Molecular Orbitals
- 1 -1572.16 eV View
- 2 -1571.96 eV View
- 3 -550.05 eV View
- 4 -129.51 eV View
- 5 -129.49 eV View
- 6 -81.32 eV View
- 7 -81.24 eV View
- 8 -81.23 eV View
- 9 -81.09 eV View
- 10 -81.06 eV View
- 11 -81.04 eV View
- 12 -33.03 eV View
- 13 -15.03 eV View
- 14 -13.84 eV View
- 15 -11.52 eV View
- 16 -10.13 eV View
- 17 -9.76 eV View
- 18 -7.24 eV View
- 19 4.65 eV View
- 20 5.10 eV View
- 21 5.13 eV View
- 22 8.29 eV View
- 23 12.20 eV View
- 24 14.32 eV View
- 25 19.45 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 |