N-ethylaniline
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 | 464.60 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 474.52 | 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 | 110.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 143.86 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.57 | J mol-1 K-1 |
| Rotational | 120.98 | J mol-1 K-1 |
| Vibrational | 83.80 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 373.34 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 63.73 | kJ mol-1 |
Molecular Orbitals
- 1 -417.02 eV View
- 2 -301.59 eV View
- 3 -301.15 eV View
- 4 -300.45 eV View
- 5 -300.05 eV View
- 6 -300.03 eV View
- 7 -299.77 eV View
- 8 -299.76 eV View
- 9 -299.74 eV View
- 10 -31.67 eV View
- 11 -29.23 eV View
- 12 -26.56 eV View
- 13 -25.87 eV View
- 14 -25.01 eV View
- 15 -21.85 eV View
- 16 -20.85 eV View
- 17 -20.15 eV View
- 18 -17.91 eV View
- 19 -16.49 eV View
- 20 -16.02 eV View
- 21 -15.66 eV View
- 22 -14.76 eV View
- 23 -14.62 eV View
- 24 -14.33 eV View
- 25 -13.91 eV View
- 26 -13.07 eV View
- 27 -12.50 eV View
- 28 -12.43 eV View
- 29 -11.73 eV View
- 30 -11.32 eV View
- 31 -9.49 eV View
- 32 -7.60 eV View
- 33 -6.33 eV View
- 34 7.45 eV View
- 35 7.59 eV View
- 36 13.78 eV View
- 37 14.86 eV View
- 38 15.91 eV View
- 39 16.17 eV View
- 40 17.15 eV View
- 41 17.69 eV View
- 42 17.97 eV View
- 43 19.00 eV View
- 44 19.37 eV View
- 45 19.80 eV View
- 46 19.93 eV View
- 47 20.64 eV View
- 48 20.91 eV View
- 49 21.11 eV View
- 50 21.86 eV View
- 51 23.98 eV View
- 52 24.37 eV View
- 53 24.92 eV View
- 54 25.19 eV View
- 55 29.97 eV View
- 56 31.40 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 2.93 | kJ mol-1 |
| Polar Solvation Energy | -10.31 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.25 | kJ mol-1 |
| Surface Area | 125.21 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.50 | Debye |