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 | 47.26 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 57.18 | 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 | 19.12 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 52.38 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.36 | J mol-1 K-1 |
| Rotational | 95.00 | J mol-1 K-1 |
| Vibrational | 12.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 268.79 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -105.08 | kJ mol-1 |
Molecular Orbitals
- 1 -2826.27 eV View
- 2 -553.51 eV View
- 3 -546.80 eV View
- 4 -286.89 eV View
- 5 -217.29 eV View
- 6 -217.23 eV View
- 7 -217.10 eV View
- 8 -37.54 eV View
- 9 -34.11 eV View
- 10 -25.52 eV View
- 11 -17.41 eV View
- 12 -15.97 eV View
- 13 -15.22 eV View
- 14 -12.39 eV View
- 15 -12.17 eV View
- 16 -7.60 eV View
- 17 -7.23 eV View
- 18 6.45 eV View
- 19 14.40 eV View
- 20 17.12 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 |