Nitro nitrate
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 | 81.70 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 91.62 | 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 | 52.85 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 86.11 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.14 | J mol-1 K-1 |
| Rotational | 113.91 | J mol-1 K-1 |
| Vibrational | 45.36 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 326.41 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -61.81 | kJ mol-1 |
Molecular Orbitals
- 1 -556.79 eV View
- 2 -556.77 eV View
- 3 -554.10 eV View
- 4 -552.56 eV View
- 5 -552.19 eV View
- 6 -430.93 eV View
- 7 -428.43 eV View
- 8 -45.75 eV View
- 9 -43.47 eV View
- 10 -40.54 eV View
- 11 -36.84 eV View
- 12 -35.84 eV View
- 13 -24.91 eV View
- 14 -22.38 eV View
- 15 -21.40 eV View
- 16 -20.24 eV View
- 17 -19.44 eV View
- 18 -19.44 eV View
- 19 -18.22 eV View
- 20 -17.09 eV View
- 21 -13.37 eV View
- 22 -11.98 eV View
- 23 -11.81 eV View
- 24 -10.92 eV View
- 25 -10.37 eV View
- 26 -9.87 eV View
- 27 -8.75 eV View
- 28 4.03 eV View
- 29 4.15 eV View
- 30 6.07 eV View
- 31 14.26 eV View
- 32 15.81 eV View
- 33 19.85 eV View
- 34 24.67 eV View
- 35 26.31 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -58.80 | kJ mol-1 |
| Polar Solvation Energy | -68.67 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.86 | kJ mol-1 |
| Surface Area | 98.47 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.43 | Debye |