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 | 35.76 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 45.68 | 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 | 42.39 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 75.65 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.53 | J mol-1 K-1 |
| Rotational | 108.01 | J mol-1 K-1 |
| Vibrational | 25.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 299.31 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 331.71 | kJ mol-1 |
Molecular Orbitals
- 1 -2130.18 eV View
- 2 -519.14 eV View
- 3 -519.13 eV View
- 4 -519.13 eV View
- 5 -519.13 eV View
- 6 -179.21 eV View
- 7 -120.14 eV View
- 8 -120.14 eV View
- 9 -120.14 eV View
- 10 -10.21 eV View
- 11 -7.32 eV View
- 12 -7.32 eV View
- 13 -7.32 eV View
- 14 6.14 eV View
- 15 10.15 eV View
- 16 10.15 eV View
- 17 10.15 eV View
- 18 14.73 eV View
- 19 14.73 eV View
- 20 15.34 eV View
- 21 15.34 eV View
- 22 15.34 eV View
- 23 16.42 eV View
- 24 16.42 eV View
- 25 16.42 eV View
- 26 37.18 eV View
- 27 37.92 eV View
- 28 37.92 eV View
- 29 37.92 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 | -2198.18 | kJ mol-1 |
| Polar Solvation Energy | -2204.11 | kJ mol-1 |
| Nonpolar Solvation Energy | 5.94 | kJ mol-1 |
| Surface Area | 91.37 | Å2 |
| Charge of Molecule | -3 | |
| Dipole | 0.02 | Debye |