N-methylprop-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 | 285.75 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 295.67 | 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 | 76.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 110.19 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.16 | J mol-1 K-1 |
| Rotational | 110.92 | J mol-1 K-1 |
| Vibrational | 72.36 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 347.45 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -99.23 | kJ mol-1 |
Molecular Orbitals
- 1 -550.19 eV View
- 2 -417.15 eV View
- 3 -303.21 eV View
- 4 -301.59 eV View
- 5 -300.51 eV View
- 6 -300.45 eV View
- 7 -35.54 eV View
- 8 -30.85 eV View
- 9 -27.45 eV View
- 10 -24.35 eV View
- 11 -21.44 eV View
- 12 -18.86 eV View
- 13 -17.66 eV View
- 14 -16.04 eV View
- 15 -15.44 eV View
- 16 -14.55 eV View
- 17 -14.06 eV View
- 18 -13.53 eV View
- 19 -12.87 eV View
- 20 -12.58 eV View
- 21 -9.01 eV View
- 22 -8.70 eV View
- 23 -7.66 eV View
- 24 6.57 eV View
- 25 11.30 eV View
- 26 15.09 eV View
- 27 16.24 eV View
- 28 17.62 eV View
- 29 18.45 eV View
- 30 18.80 eV View
- 31 18.91 eV View
- 32 19.62 eV View
- 33 19.91 eV View
- 34 22.37 eV View
- 35 24.91 eV View
- 36 26.16 eV View
- 37 29.60 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 52.86 cm-1 View
- 2 109.23 cm-1 View
- 3 166.21 cm-1 View
- 4 223.19 cm-1 View
- 5 336.81 cm-1 View
- 6 429.13 cm-1 View
- 7 462.20 cm-1 View
- 8 540.88 cm-1 View
- 9 622.62 cm-1 View
- 10 775.19 cm-1 View
- 11 865.89 cm-1 View
- 12 930.63 cm-1 View
- 13 984.67 cm-1 View
- 14 1011.50 cm-1 View
- 15 1056.84 cm-1 View
- 16 1087.33 cm-1 View
- 17 1132.20 cm-1 View
- 18 1197.93 cm-1 View
- 19 1281.77 cm-1 View
- 20 1321.29 cm-1 View
- 21 1359.21 cm-1 View
- 22 1367.28 cm-1 View
- 23 1383.50 cm-1 View
- 24 1488.01 cm-1 View
- 25 1842.99 cm-1 View
- 26 1903.38 cm-1 View
- 27 3038.60 cm-1 View
- 28 3040.61 cm-1 View
- 29 3062.28 cm-1 View
- 30 3124.42 cm-1 View
- 31 3132.12 cm-1 View
- 32 3136.68 cm-1 View
- 33 3392.47 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -9.35 | kJ mol-1 |
| Polar Solvation Energy | -22.78 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.42 | kJ mol-1 |
| Surface Area | 102.28 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.00 | Debye |