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 | 45.70 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 55.62 | 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 | 60.56 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 93.81 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.86 | J mol-1 K-1 |
| Rotational | 110.54 | J mol-1 K-1 |
| Vibrational | 45.60 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 325.00 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -987.71 | kJ mol-1 |
Molecular Orbitals
- 1 -2490.25 eV View
- 2 -706.65 eV View
- 3 -706.65 eV View
- 4 -704.94 eV View
- 5 -704.93 eV View
- 6 -549.26 eV View
- 7 -253.92 eV View
- 8 -189.70 eV View
- 9 -189.62 eV View
- 10 -189.60 eV View
- 11 -46.13 eV View
- 12 -43.21 eV View
- 13 -42.29 eV View
- 14 -40.77 eV View
- 15 -37.93 eV View
- 16 -24.57 eV View
- 17 -20.92 eV View
- 18 -20.61 eV View
- 19 -18.31 eV View
- 20 -16.28 eV View
- 21 -15.21 eV View
- 22 -15.07 eV View
- 23 -14.26 eV View
- 24 -13.32 eV View
- 25 -13.27 eV View
- 26 -13.06 eV View
- 27 -12.60 eV View
- 28 -11.03 eV View
- 29 -10.70 eV View
- 30 -10.56 eV View
- 31 8.65 eV View
- 32 9.90 eV View
- 33 12.17 eV View
- 34 14.56 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 |