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 | 11.57 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 21.48 | 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 | 15.46 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 48.72 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.38 | J mol-1 K-1 |
| Rotational | 95.87 | J mol-1 K-1 |
| Vibrational | 12.27 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 267.52 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -116.04 | kJ mol-1 |
Molecular Orbitals
- 1 -1087.16 eV View
- 2 -702.09 eV View
- 3 -547.11 eV View
- 4 -73.30 eV View
- 5 -37.82 eV View
- 6 -36.38 eV View
- 7 -36.37 eV View
- 8 -36.31 eV View
- 9 -26.48 eV View
- 10 -11.39 eV View
- 11 -11.32 eV View
- 12 -9.84 eV View
- 13 -6.04 eV View
- 14 -5.44 eV View
- 15 3.41 eV View
- 16 8.51 eV View
- 17 8.53 eV View
- 18 13.68 eV View
- 19 16.33 eV View
Vibrational Frequencies
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 |