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 | 24.39 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 34.31 | 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 | 28.93 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 62.19 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.34 | J mol-1 K-1 |
| Rotational | 113.22 | J mol-1 K-1 |
| Vibrational | 22.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 304.03 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -26.84 | kJ mol-1 |
Molecular Orbitals
- 1 -2821.97 eV View
- 2 -2821.97 eV View
- 3 -2821.97 eV View
- 4 -421.66 eV View
- 5 -283.05 eV View
- 6 -283.05 eV View
- 7 -283.04 eV View
- 8 -213.48 eV View
- 9 -213.48 eV View
- 10 -213.48 eV View
- 11 -213.31 eV View
- 12 -213.30 eV View
- 13 -213.30 eV View
- 14 -213.29 eV View
- 15 -213.29 eV View
- 16 -213.29 eV View
- 17 -35.24 eV View
- 18 -28.57 eV View
- 19 -28.57 eV View
- 20 -22.86 eV View
- 21 -15.87 eV View
- 22 -15.87 eV View
- 23 -15.69 eV View
- 24 -12.21 eV View
- 25 -12.21 eV View
- 26 -11.24 eV View
- 27 -11.24 eV View
- 28 -11.06 eV View
- 29 -9.15 eV View
- 30 5.04 eV View
- 31 9.26 eV View
- 32 9.26 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 |