Prop-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 | 213.65 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 223.57 | 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 | 52.35 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 85.61 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.91 | J mol-1 K-1 |
| Rotational | 105.85 | J mol-1 K-1 |
| Vibrational | 41.39 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 309.15 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -96.95 | kJ mol-1 |
Molecular Orbitals
- 1 -549.97 eV View
- 2 -417.00 eV View
- 3 -303.30 eV View
- 4 -300.56 eV View
- 5 -300.50 eV View
- 6 -35.43 eV View
- 7 -30.30 eV View
- 8 -27.42 eV View
- 9 -22.17 eV View
- 10 -18.82 eV View
- 11 -17.68 eV View
- 12 -17.08 eV View
- 13 -14.68 eV View
- 14 -14.07 eV View
- 15 -13.59 eV View
- 16 -12.62 eV View
- 17 -9.24 eV View
- 18 -8.68 eV View
- 19 -7.84 eV View
- 20 6.58 eV View
- 21 11.44 eV View
- 22 15.46 eV View
- 23 16.76 eV View
- 24 18.07 eV View
- 25 18.57 eV View
- 26 20.17 eV View
- 27 21.85 eV View
- 28 24.84 eV View
- 29 26.49 eV View
- 30 29.61 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 57.10 cm-1 View
- 2 286.85 cm-1 View
- 3 428.43 cm-1 View
- 4 440.45 cm-1 View
- 5 501.44 cm-1 View
- 6 574.79 cm-1 View
- 7 702.67 cm-1 View
- 8 882.31 cm-1 View
- 9 913.41 cm-1 View
- 10 960.96 cm-1 View
- 11 1030.65 cm-1 View
- 12 1057.86 cm-1 View
- 13 1099.52 cm-1 View
- 14 1219.71 cm-1 View
- 15 1312.71 cm-1 View
- 16 1416.02 cm-1 View
- 17 1628.52 cm-1 View
- 18 1844.15 cm-1 View
- 19 1897.45 cm-1 View
- 20 3039.61 cm-1 View
- 21 3124.31 cm-1 View
- 22 3136.76 cm-1 View
- 23 3478.58 cm-1 View
- 24 3545.70 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -12.52 | kJ mol-1 |
| Polar Solvation Energy | -26.30 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.75 | kJ mol-1 |
| Surface Area | 88.88 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.37 | Debye |