2-chloroaniline
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 | 287.18 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 297.09 | 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 | 83.22 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 116.48 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.16 | J mol-1 K-1 |
| Rotational | 119.71 | J mol-1 K-1 |
| Vibrational | 54.85 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 343.72 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 78.57 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.75 eV View
- 2 -417.32 eV View
- 3 -302.12 eV View
- 4 -301.27 eV View
- 5 -300.53 eV View
- 6 -300.37 eV View
- 7 -300.03 eV View
- 8 -299.91 eV View
- 9 -280.98 eV View
- 10 -211.39 eV View
- 11 -211.24 eV View
- 12 -211.24 eV View
- 13 -31.91 eV View
- 14 -29.75 eV View
- 15 -28.48 eV View
- 16 -25.77 eV View
- 17 -24.83 eV View
- 18 -21.31 eV View
- 19 -20.45 eV View
- 20 -17.84 eV View
- 21 -17.73 eV View
- 22 -16.17 eV View
- 23 -15.10 eV View
- 24 -14.93 eV View
- 25 -14.13 eV View
- 26 -13.98 eV View
- 27 -12.54 eV View
- 28 -11.84 eV View
- 29 -11.24 eV View
- 30 -10.64 eV View
- 31 -10.14 eV View
- 32 -7.59 eV View
- 33 -6.17 eV View
- 34 7.02 eV View
- 35 7.48 eV View
- 36 11.69 eV View
- 37 13.55 eV View
- 38 15.94 eV View
- 39 16.32 eV View
- 40 17.11 eV View
- 41 18.64 eV View
- 42 19.60 eV View
- 43 20.00 eV View
- 44 20.79 eV View
- 45 22.97 eV View
- 46 23.92 eV View
- 47 24.54 eV View
- 48 25.06 eV View
- 49 29.59 eV View
- 50 30.73 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| 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 |