N-hydroxy-n-oxidonitrous amide
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 | 52.49 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 62.40 | 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 | 25.99 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 59.25 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.76 | J mol-1 K-1 |
| Rotational | 104.45 | J mol-1 K-1 |
| Vibrational | 16.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 283.72 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 99.17 | kJ mol-1 |
Molecular Orbitals
- 1 -558.34 eV View
- 2 -552.96 eV View
- 3 -552.67 eV View
- 4 -426.74 eV View
- 5 -424.47 eV View
- 6 -43.73 eV View
- 7 -42.28 eV View
- 8 -36.71 eV View
- 9 -26.72 eV View
- 10 -21.94 eV View
- 11 -19.54 eV View
- 12 -18.55 eV View
- 13 -18.08 eV View
- 14 -16.62 eV View
- 15 -16.52 eV View
- 16 -14.60 eV View
- 17 -10.75 eV View
- 18 -8.85 eV View
- 19 -8.05 eV View
- 20 4.04 eV View
- 21 6.53 eV View
- 22 7.04 eV View
- 23 19.92 eV View
- 24 22.15 eV View
- 25 25.60 eV View
Vibrational Frequencies
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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 | -22.61 | kJ mol-1 |
| Polar Solvation Energy | -31.72 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.11 | kJ mol-1 |
| Surface Area | 81.06 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.63 | Debye |