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 | 82.45 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 92.37 | 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 | 28.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 61.69 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.08 | J mol-1 K-1 |
| Rotational | 102.92 | J mol-1 K-1 |
| Vibrational | 12.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 277.47 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 1474.89 | kJ mol-1 |
Molecular Orbitals
- 1 -300.56 eV View
- 2 -300.55 eV View
- 3 -300.55 eV View
- 4 -300.52 eV View
- 5 -300.52 eV View
- 6 -300.51 eV View
- 7 -30.87 eV View
- 8 -25.78 eV View
- 9 -25.78 eV View
- 10 -19.14 eV View
- 11 -19.14 eV View
- 12 -15.67 eV View
- 13 -13.76 eV View
- 14 -13.21 eV View
- 15 -8.38 eV View
- 16 -8.38 eV View
- 17 -7.30 eV View
- 18 -7.30 eV View
- 19 3.09 eV View
- 20 5.06 eV View
- 21 5.06 eV View
- 22 8.06 eV View
- 23 8.06 eV View
- 24 15.60 eV View
- 25 24.77 eV View
- 26 24.78 eV View
- 27 26.73 eV View
- 28 26.73 eV View
- 29 33.66 eV View
- 30 34.10 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 | 5.45 | kJ mol-1 |
| Polar Solvation Energy | -0.37 | kJ mol-1 |
| Nonpolar Solvation Energy | 5.81 | kJ mol-1 |
| Surface Area | 94.67 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |