N,n-diethylethanamine
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 | 544.75 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 554.67 | 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 | 118.97 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 152.23 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.32 | J mol-1 K-1 |
| Rotational | 117.52 | J mol-1 K-1 |
| Vibrational | 108.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 392.71 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -109.16 | kJ mol-1 |
Molecular Orbitals
- 1 -416.26 eV View
- 2 -301.15 eV View
- 3 -301.15 eV View
- 4 -301.10 eV View
- 5 -300.25 eV View
- 6 -300.20 eV View
- 7 -300.20 eV View
- 8 -31.31 eV View
- 9 -26.75 eV View
- 10 -26.51 eV View
- 11 -24.81 eV View
- 12 -22.42 eV View
- 13 -21.44 eV View
- 14 -19.39 eV View
- 15 -16.93 eV View
- 16 -16.66 eV View
- 17 -15.40 eV View
- 18 -14.69 eV View
- 19 -14.52 eV View
- 20 -14.43 eV View
- 21 -13.91 eV View
- 22 -13.35 eV View
- 23 -12.82 eV View
- 24 -12.71 eV View
- 25 -12.46 eV View
- 26 -11.99 eV View
- 27 -11.16 eV View
- 28 -11.07 eV View
- 29 -7.29 eV View
- 30 14.76 eV View
- 31 15.36 eV View
- 32 15.76 eV View
- 33 17.62 eV View
- 34 17.68 eV View
- 35 17.83 eV View
- 36 18.05 eV View
- 37 18.45 eV View
- 38 18.78 eV View
- 39 19.07 eV View
- 40 19.72 eV View
- 41 20.05 eV View
- 42 20.29 eV View
- 43 20.38 eV View
- 44 20.80 eV View
- 45 21.26 eV View
- 46 21.36 eV View
- 47 21.77 eV View
- 48 22.38 eV View
- 49 22.94 eV View
- 50 23.37 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 76.47 cm-1 View
- 2 81.85 cm-1 View
- 3 133.03 cm-1 View
- 4 152.91 cm-1 View
- 5 191.36 cm-1 View
- 6 211.93 cm-1 View
- 7 250.19 cm-1 View
- 8 259.44 cm-1 View
- 9 391.01 cm-1 View
- 10 431.94 cm-1 View
- 11 512.26 cm-1 View
- 12 535.87 cm-1 View
- 13 813.69 cm-1 View
- 14 827.21 cm-1 View
- 15 841.88 cm-1 View
- 16 863.21 cm-1 View
- 17 961.21 cm-1 View
- 18 975.74 cm-1 View
- 19 1020.62 cm-1 View
- 20 1039.96 cm-1 View
- 21 1042.23 cm-1 View
- 22 1073.17 cm-1 View
- 23 1109.35 cm-1 View
- 24 1111.57 cm-1 View
- 25 1121.15 cm-1 View
- 26 1123.49 cm-1 View
- 27 1130.18 cm-1 View
- 28 1136.44 cm-1 View
- 29 1167.90 cm-1 View
- 30 1182.80 cm-1 View
- 31 1297.16 cm-1 View
- 32 1321.99 cm-1 View
- 33 1341.89 cm-1 View
- 34 1365.05 cm-1 View
- 35 1376.32 cm-1 View
- 36 1377.55 cm-1 View
- 37 1403.87 cm-1 View
- 38 1404.95 cm-1 View
- 39 1406.05 cm-1 View
- 40 1407.72 cm-1 View
- 41 1410.92 cm-1 View
- 42 1412.49 cm-1 View
- 43 1413.36 cm-1 View
- 44 1420.03 cm-1 View
- 45 1422.54 cm-1 View
- 46 2899.59 cm-1 View
- 47 2904.94 cm-1 View
- 48 2907.44 cm-1 View
- 49 2942.06 cm-1 View
- 50 2984.27 cm-1 View
- 51 2988.14 cm-1 View
- 52 3045.16 cm-1 View
- 53 3046.06 cm-1 View
- 54 3072.78 cm-1 View
- 55 3080.36 cm-1 View
- 56 3088.39 cm-1 View
- 57 3088.92 cm-1 View
- 58 3171.19 cm-1 View
- 59 3171.93 cm-1 View
- 60 3179.49 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 15.42 | kJ mol-1 |
| Polar Solvation Energy | -7.08 | kJ mol-1 |
| Nonpolar Solvation Energy | 22.53 | kJ mol-1 |
| Surface Area | 110.51 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.30 | Debye |