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 | 53.09 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 63.00 | 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 | 83.47 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 116.73 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.90 | J mol-1 K-1 |
| Rotational | 113.63 | J mol-1 K-1 |
| Vibrational | 61.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 345.94 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1272.98 | kJ mol-1 |
Molecular Orbitals
- 1 -2492.23 eV View
- 2 -705.58 eV View
- 3 -705.57 eV View
- 4 -705.57 eV View
- 5 -705.57 eV View
- 6 -705.56 eV View
- 7 -705.56 eV View
- 8 -255.49 eV View
- 9 -191.23 eV View
- 10 -191.23 eV View
- 11 -191.23 eV View
- 12 -47.45 eV View
- 13 -43.28 eV View
- 14 -43.28 eV View
- 15 -43.28 eV View
- 16 -41.10 eV View
- 17 -41.10 eV View
- 18 -25.80 eV View
- 19 -21.34 eV View
- 20 -21.34 eV View
- 21 -21.34 eV View
- 22 -15.86 eV View
- 23 -15.86 eV View
- 24 -15.86 eV View
- 25 -14.39 eV View
- 26 -14.39 eV View
- 27 -14.39 eV View
- 28 -13.49 eV View
- 29 -13.49 eV View
- 30 -13.49 eV View
- 31 -13.43 eV View
- 32 -13.43 eV View
- 33 -13.43 eV View
- 34 -11.93 eV View
- 35 -11.93 eV View
- 36 10.02 eV View
- 37 12.83 eV View
- 38 12.83 eV View
- 39 12.83 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 |