N,n'-dimethylethane-1,2-diamine
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 | 438.37 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 448.29 | 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 | 94.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 128.20 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.60 | J mol-1 K-1 |
| Rotational | 113.15 | J mol-1 K-1 |
| Vibrational | 95.97 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 373.72 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -36.71 | kJ mol-1 |
Molecular Orbitals
- 1 -416.59 eV View
- 2 -416.59 eV View
- 3 -301.29 eV View
- 4 -301.28 eV View
- 5 -301.12 eV View
- 6 -301.12 eV View
- 7 -31.39 eV View
- 8 -30.73 eV View
- 9 -25.81 eV View
- 10 -23.54 eV View
- 11 -22.33 eV View
- 12 -21.21 eV View
- 13 -17.13 eV View
- 14 -16.05 eV View
- 15 -15.84 eV View
- 16 -15.30 eV View
- 17 -14.45 eV View
- 18 -14.17 eV View
- 19 -14.09 eV View
- 20 -13.12 eV View
- 21 -12.49 eV View
- 22 -12.38 eV View
- 23 -11.49 eV View
- 24 -8.23 eV View
- 25 -8.07 eV View
- 26 14.70 eV View
- 27 16.28 eV View
- 28 16.97 eV View
- 29 17.60 eV View
- 30 17.77 eV View
- 31 18.15 eV View
- 32 18.38 eV View
- 33 18.89 eV View
- 34 19.39 eV View
- 35 19.46 eV View
- 36 19.96 eV View
- 37 20.18 eV View
- 38 20.37 eV View
- 39 20.91 eV View
- 40 21.62 eV View
- 41 21.79 eV View
- 42 22.18 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 58.45 cm-1 View
- 2 93.95 cm-1 View
- 3 101.55 cm-1 View
- 4 164.83 cm-1 View
- 5 185.78 cm-1 View
- 6 189.43 cm-1 View
- 7 345.30 cm-1 View
- 8 399.74 cm-1 View
- 9 524.99 cm-1 View
- 10 780.61 cm-1 View
- 11 844.80 cm-1 View
- 12 882.84 cm-1 View
- 13 941.25 cm-1 View
- 14 942.23 cm-1 View
- 15 963.37 cm-1 View
- 16 1012.28 cm-1 View
- 17 1094.25 cm-1 View
- 18 1096.49 cm-1 View
- 19 1101.73 cm-1 View
- 20 1119.79 cm-1 View
- 21 1135.43 cm-1 View
- 22 1140.74 cm-1 View
- 23 1154.46 cm-1 View
- 24 1171.23 cm-1 View
- 25 1243.71 cm-1 View
- 26 1307.70 cm-1 View
- 27 1338.17 cm-1 View
- 28 1370.05 cm-1 View
- 29 1376.38 cm-1 View
- 30 1377.23 cm-1 View
- 31 1377.88 cm-1 View
- 32 1388.60 cm-1 View
- 33 1388.90 cm-1 View
- 34 1392.91 cm-1 View
- 35 1419.93 cm-1 View
- 36 1430.94 cm-1 View
- 37 2896.36 cm-1 View
- 38 2908.29 cm-1 View
- 39 2987.86 cm-1 View
- 40 2989.77 cm-1 View
- 41 3030.76 cm-1 View
- 42 3030.84 cm-1 View
- 43 3061.08 cm-1 View
- 44 3061.10 cm-1 View
- 45 3135.07 cm-1 View
- 46 3135.08 cm-1 View
- 47 3364.84 cm-1 View
- 48 3365.06 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 1.06 | kJ mol-1 |
| Polar Solvation Energy | -14.92 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.01 | kJ mol-1 |
| Surface Area | 109.29 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.42 | Debye |