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 | 31.04 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 40.96 | 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 | 52.86 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 86.12 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.14 | J mol-1 K-1 |
| Rotational | 109.11 | J mol-1 K-1 |
| Vibrational | 52.33 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 328.58 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -689.49 | kJ mol-1 |
Molecular Orbitals
- 1 -2484.82 eV View
- 2 -703.30 eV View
- 3 -703.29 eV View
- 4 -703.29 eV View
- 5 -703.29 eV View
- 6 -249.10 eV View
- 7 -184.61 eV View
- 8 -184.61 eV View
- 9 -184.61 eV View
- 10 -42.65 eV View
- 11 -40.39 eV View
- 12 -40.39 eV View
- 13 -40.39 eV View
- 14 -24.63 eV View
- 15 -18.04 eV View
- 16 -18.04 eV View
- 17 -18.04 eV View
- 18 -12.78 eV View
- 19 -12.78 eV View
- 20 -12.42 eV View
- 21 -12.42 eV View
- 22 -12.42 eV View
- 23 -12.03 eV View
- 24 -12.03 eV View
- 25 -12.03 eV View
- 26 -1.49 eV View
- 27 8.10 eV View
- 28 8.10 eV View
- 29 8.10 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 | 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 |