N-propan-2-ylprop-2-enamide
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 | 441.17 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 451.09 | 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 | 118.17 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 151.42 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.71 | J mol-1 K-1 |
| Rotational | 120.21 | J mol-1 K-1 |
| Vibrational | 116.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 404.79 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -148.69 | kJ mol-1 |
Molecular Orbitals
- 1 -550.49 eV View
- 2 -417.04 eV View
- 3 -303.24 eV View
- 4 -301.86 eV View
- 5 -300.47 eV View
- 6 -300.41 eV View
- 7 -300.41 eV View
- 8 -300.38 eV View
- 9 -35.71 eV View
- 10 -31.16 eV View
- 11 -27.75 eV View
- 12 -26.72 eV View
- 13 -24.43 eV View
- 14 -22.06 eV View
- 15 -20.53 eV View
- 16 -19.03 eV View
- 17 -17.18 eV View
- 18 -16.08 eV View
- 19 -15.90 eV View
- 20 -15.51 eV View
- 21 -14.88 eV View
- 22 -13.93 eV View
- 23 -13.83 eV View
- 24 -13.39 eV View
- 25 -12.96 eV View
- 26 -12.40 eV View
- 27 -12.03 eV View
- 28 -11.88 eV View
- 29 -9.11 eV View
- 30 -8.76 eV View
- 31 -7.77 eV View
- 32 7.44 eV View
- 33 9.40 eV View
- 34 14.67 eV View
- 35 16.06 eV View
- 36 16.52 eV View
- 37 17.42 eV View
- 38 17.99 eV View
- 39 18.35 eV View
- 40 18.73 eV View
- 41 19.05 eV View
- 42 19.23 eV View
- 43 20.21 eV View
- 44 20.39 eV View
- 45 20.60 eV View
- 46 21.06 eV View
- 47 21.31 eV View
- 48 22.76 eV View
- 49 24.54 eV View
- 50 26.96 eV View
- 51 28.36 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -0.20 | kJ mol-1 |
| Polar Solvation Energy | -21.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.82 | kJ mol-1 |
| Surface Area | 119.23 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.04 | Debye |