1-(4-aminophenyl)ethanone
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 | 422.85 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 432.76 | 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 | 121.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 154.87 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.93 | J mol-1 K-1 |
| Rotational | 123.51 | J mol-1 K-1 |
| Vibrational | 112.16 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 405.60 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -86.92 | kJ mol-1 |
Molecular Orbitals
- 1 -551.35 eV View
- 2 -417.50 eV View
- 3 -302.43 eV View
- 4 -301.67 eV View
- 5 -300.53 eV View
- 6 -300.41 eV View
- 7 -300.38 eV View
- 8 -300.03 eV View
- 9 -300.03 eV View
- 10 -300.00 eV View
- 11 -35.84 eV View
- 12 -31.75 eV View
- 13 -29.44 eV View
- 14 -26.53 eV View
- 15 -26.15 eV View
- 16 -25.16 eV View
- 17 -21.36 eV View
- 18 -21.28 eV View
- 19 -19.01 eV View
- 20 -17.42 eV View
- 21 -17.32 eV View
- 22 -16.25 eV View
- 23 -15.31 eV View
- 24 -15.17 eV View
- 25 -15.06 eV View
- 26 -14.67 eV View
- 27 -14.04 eV View
- 28 -13.68 eV View
- 29 -13.17 eV View
- 30 -12.53 eV View
- 31 -11.91 eV View
- 32 -11.22 eV View
- 33 -10.22 eV View
- 34 -8.66 eV View
- 35 -7.90 eV View
- 36 -6.46 eV View
- 37 6.36 eV View
- 38 7.21 eV View
- 39 9.21 eV View
- 40 13.67 eV View
- 41 15.27 eV View
- 42 16.53 eV View
- 43 16.76 eV View
- 44 17.80 eV View
- 45 18.14 eV View
- 46 18.74 eV View
- 47 18.98 eV View
- 48 19.41 eV View
- 49 19.66 eV View
- 50 19.97 eV View
- 51 20.48 eV View
- 52 21.17 eV View
- 53 23.43 eV View
- 54 24.18 eV View
- 55 24.53 eV View
- 56 24.93 eV View
- 57 27.68 eV View
- 58 30.27 eV View
- 59 31.03 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -14.13 | kJ mol-1 |
| Polar Solvation Energy | -24.92 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.78 | kJ mol-1 |
| Surface Area | 129.78 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.01 | Debye |