Nitromethane
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 | 133.38 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 143.30 | 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 | 28.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 61.87 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 160.02 | J mol-1 K-1 |
| Rotational | 98.67 | J mol-1 K-1 |
| Vibrational | 25.20 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 283.89 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -66.52 | kJ mol-1 |
Molecular Orbitals
- 1 -551.43 eV View
- 2 -551.41 eV View
- 3 -426.34 eV View
- 4 -303.05 eV View
- 5 -41.66 eV View
- 6 -35.43 eV View
- 7 -28.07 eV View
- 8 -21.65 eV View
- 9 -18.33 eV View
- 10 -18.03 eV View
- 11 -16.95 eV View
- 12 -14.94 eV View
- 13 -14.88 eV View
- 14 -9.76 eV View
- 15 -9.65 eV View
- 16 -7.74 eV View
- 17 6.16 eV View
- 18 13.18 eV View
- 19 16.50 eV View
- 20 17.35 eV View
- 21 18.42 eV View
- 22 21.51 eV View
- 23 24.44 eV View
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 | -28.01 | kJ mol-1 |
| Polar Solvation Energy | -37.88 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.91 | kJ mol-1 |
| Surface Area | 73.70 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.59 | Debye |