3-nitrophenol
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 | 298.32 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 308.23 | 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 | 102.03 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 135.29 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.29 | J mol-1 K-1 |
| Rotational | 123.57 | J mol-1 K-1 |
| Vibrational | 91.31 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 385.17 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -123.42 | kJ mol-1 |
Molecular Orbitals
- 1 -552.97 eV View
- 2 -551.13 eV View
- 3 -551.11 eV View
- 4 -426.08 eV View
- 5 -302.81 eV View
- 6 -302.40 eV View
- 7 -301.20 eV View
- 8 -301.13 eV View
- 9 -301.06 eV View
- 10 -301.00 eV View
- 11 -41.43 eV View
- 12 -36.89 eV View
- 13 -35.14 eV View
- 14 -30.72 eV View
- 15 -27.77 eV View
- 16 -26.60 eV View
- 17 -24.20 eV View
- 18 -21.63 eV View
- 19 -20.83 eV View
- 20 -18.69 eV View
- 21 -17.66 eV View
- 22 -17.57 eV View
- 23 -17.36 eV View
- 24 -16.50 eV View
- 25 -15.80 eV View
- 26 -15.39 eV View
- 27 -14.65 eV View
- 28 -13.87 eV View
- 29 -13.56 eV View
- 30 -12.22 eV View
- 31 -12.06 eV View
- 32 -9.47 eV View
- 33 -9.44 eV View
- 34 -8.77 eV View
- 35 -7.55 eV View
- 36 -7.46 eV View
- 37 4.89 eV View
- 38 6.61 eV View
- 39 7.82 eV View
- 40 12.54 eV View
- 41 12.93 eV View
- 42 15.01 eV View
- 43 15.50 eV View
- 44 17.33 eV View
- 45 17.81 eV View
- 46 18.42 eV View
- 47 18.86 eV View
- 48 21.63 eV View
- 49 21.72 eV View
- 50 22.64 eV View
- 51 22.69 eV View
- 52 23.86 eV View
- 53 25.38 eV View
- 54 28.94 eV View
- 55 29.90 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -21.64 | kJ mol-1 |
| Polar Solvation Energy | -39.86 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.22 | kJ mol-1 |
| Surface Area | 116.27 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 7.38 | Debye |