N-methylacetamide
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 | 271.20 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 281.11 | 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 | 64.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 97.85 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.26 | J mol-1 K-1 |
| Rotational | 106.78 | J mol-1 K-1 |
| Vibrational | 65.53 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 334.58 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -208.21 | kJ mol-1 |
Molecular Orbitals
- 1 -550.13 eV View
- 2 -417.20 eV View
- 3 -303.22 eV View
- 4 -301.61 eV View
- 5 -300.91 eV View
- 6 -35.53 eV View
- 7 -30.88 eV View
- 8 -26.20 eV View
- 9 -23.84 eV View
- 10 -19.23 eV View
- 11 -17.16 eV View
- 12 -15.80 eV View
- 13 -15.66 eV View
- 14 -14.88 eV View
- 15 -14.07 eV View
- 16 -13.63 eV View
- 17 -12.81 eV View
- 18 -11.71 eV View
- 19 -8.69 eV View
- 20 -7.72 eV View
- 21 8.84 eV View
- 22 15.39 eV View
- 23 16.61 eV View
- 24 17.69 eV View
- 25 18.82 eV View
- 26 19.07 eV View
- 27 19.27 eV View
- 28 19.55 eV View
- 29 20.04 eV View
- 30 20.20 eV View
- 31 23.85 eV View
- 32 27.90 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 39.20 cm-1 View
- 2 116.86 cm-1 View
- 3 167.66 cm-1 View
- 4 278.63 cm-1 View
- 5 434.56 cm-1 View
- 6 454.14 cm-1 View
- 7 578.80 cm-1 View
- 8 652.82 cm-1 View
- 9 870.81 cm-1 View
- 10 987.28 cm-1 View
- 11 1004.90 cm-1 View
- 12 1018.99 cm-1 View
- 13 1062.48 cm-1 View
- 14 1131.17 cm-1 View
- 15 1248.12 cm-1 View
- 16 1347.25 cm-1 View
- 17 1370.63 cm-1 View
- 18 1376.34 cm-1 View
- 19 1382.45 cm-1 View
- 20 1390.28 cm-1 View
- 21 1416.71 cm-1 View
- 22 1486.80 cm-1 View
- 23 1908.93 cm-1 View
- 24 3040.64 cm-1 View
- 25 3060.52 cm-1 View
- 26 3081.07 cm-1 View
- 27 3082.81 cm-1 View
- 28 3131.48 cm-1 View
- 29 3180.16 cm-1 View
- 30 3390.86 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -10.18 | kJ mol-1 |
| Polar Solvation Energy | -24.12 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.92 | kJ mol-1 |
| Surface Area | 92.00 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.27 | Debye |