N-(2-aminoethyl)ethane-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 | 489.12 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 499.04 | 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 | 111.64 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 144.90 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.56 | J mol-1 K-1 |
| Rotational | 119.33 | J mol-1 K-1 |
| Vibrational | 104.63 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 390.52 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -19.13 | kJ mol-1 |
Molecular Orbitals
- 1 -416.45 eV View
- 2 -416.38 eV View
- 3 -416.32 eV View
- 4 -301.29 eV View
- 5 -301.23 eV View
- 6 -301.18 eV View
- 7 -301.12 eV View
- 8 -31.34 eV View
- 9 -30.56 eV View
- 10 -30.18 eV View
- 11 -25.56 eV View
- 12 -24.12 eV View
- 13 -21.15 eV View
- 14 -20.64 eV View
- 15 -17.33 eV View
- 16 -16.66 eV View
- 17 -16.43 eV View
- 18 -15.82 eV View
- 19 -15.33 eV View
- 20 -14.58 eV View
- 21 -13.77 eV View
- 22 -13.62 eV View
- 23 -12.66 eV View
- 24 -12.50 eV View
- 25 -11.78 eV View
- 26 -11.47 eV View
- 27 -8.75 eV View
- 28 -8.57 eV View
- 29 -8.10 eV View
- 30 14.63 eV View
- 31 15.28 eV View
- 32 16.09 eV View
- 33 17.06 eV View
- 34 17.28 eV View
- 35 17.88 eV View
- 36 18.17 eV View
- 37 18.48 eV View
- 38 19.07 eV View
- 39 19.10 eV View
- 40 19.20 eV View
- 41 20.10 eV View
- 42 20.48 eV View
- 43 20.84 eV View
- 44 21.19 eV View
- 45 21.49 eV View
- 46 22.34 eV View
- 47 22.39 eV View
- 48 23.63 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 70.36 cm-1 View
- 2 74.56 cm-1 View
- 3 107.24 cm-1 View
- 4 183.61 cm-1 View
- 5 214.41 cm-1 View
- 6 216.01 cm-1 View
- 7 284.08 cm-1 View
- 8 334.72 cm-1 View
- 9 349.31 cm-1 View
- 10 461.60 cm-1 View
- 11 508.96 cm-1 View
- 12 791.76 cm-1 View
- 13 792.77 cm-1 View
- 14 845.92 cm-1 View
- 15 932.26 cm-1 View
- 16 952.29 cm-1 View
- 17 980.88 cm-1 View
- 18 1006.52 cm-1 View
- 19 1031.29 cm-1 View
- 20 1037.46 cm-1 View
- 21 1087.38 cm-1 View
- 22 1105.97 cm-1 View
- 23 1115.91 cm-1 View
- 24 1139.65 cm-1 View
- 25 1143.70 cm-1 View
- 26 1162.42 cm-1 View
- 27 1171.41 cm-1 View
- 28 1175.88 cm-1 View
- 29 1184.88 cm-1 View
- 30 1225.62 cm-1 View
- 31 1262.86 cm-1 View
- 32 1298.47 cm-1 View
- 33 1311.83 cm-1 View
- 34 1367.76 cm-1 View
- 35 1372.54 cm-1 View
- 36 1379.01 cm-1 View
- 37 1389.04 cm-1 View
- 38 1400.46 cm-1 View
- 39 1414.21 cm-1 View
- 40 1671.04 cm-1 View
- 41 1671.26 cm-1 View
- 42 2884.55 cm-1 View
- 43 2901.87 cm-1 View
- 44 2909.56 cm-1 View
- 45 2916.64 cm-1 View
- 46 2976.04 cm-1 View
- 47 2983.91 cm-1 View
- 48 2987.45 cm-1 View
- 49 2991.78 cm-1 View
- 50 3383.12 cm-1 View
- 51 3386.73 cm-1 View
- 52 3386.95 cm-1 View
- 53 3522.35 cm-1 View
- 54 3522.59 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 3.23 | kJ mol-1 |
| Polar Solvation Energy | -21.61 | kJ mol-1 |
| Nonpolar Solvation Energy | 24.83 | kJ mol-1 |
| Surface Area | 108.73 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.43 | Debye |