N,n'-bis(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 | 687.77 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 697.69 | 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 | 171.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 204.28 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.91 | J mol-1 K-1 |
| Rotational | 129.28 | J mol-1 K-1 |
| Vibrational | 195.37 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 495.56 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -26.43 | kJ mol-1 |
Molecular Orbitals
- 1 -416.49 eV View
- 2 -416.39 eV View
- 3 -416.39 eV View
- 4 -416.24 eV View
- 5 -301.37 eV View
- 6 -301.29 eV View
- 7 -301.21 eV View
- 8 -301.18 eV View
- 9 -301.16 eV View
- 10 -301.12 eV View
- 11 -31.42 eV View
- 12 -31.06 eV View
- 13 -30.44 eV View
- 14 -30.12 eV View
- 15 -26.11 eV View
- 16 -24.85 eV View
- 17 -23.37 eV View
- 18 -21.24 eV View
- 19 -20.97 eV View
- 20 -20.90 eV View
- 21 -17.20 eV View
- 22 -16.87 eV View
- 23 -16.70 eV View
- 24 -16.18 eV View
- 25 -15.82 eV View
- 26 -15.31 eV View
- 27 -14.92 eV View
- 28 -14.75 eV View
- 29 -14.06 eV View
- 30 -13.61 eV View
- 31 -13.21 eV View
- 32 -12.99 eV View
- 33 -12.63 eV View
- 34 -12.21 eV View
- 35 -12.17 eV View
- 36 -12.03 eV View
- 37 -11.00 eV View
- 38 -8.79 eV View
- 39 -8.67 eV View
- 40 -8.06 eV View
- 41 -7.90 eV View
- 42 14.23 eV View
- 43 15.77 eV View
- 44 16.02 eV View
- 45 16.16 eV View
- 46 16.74 eV View
- 47 17.05 eV View
- 48 17.52 eV View
- 49 17.61 eV View
- 50 18.08 eV View
- 51 18.63 eV View
- 52 18.67 eV View
- 53 18.83 eV View
- 54 19.11 eV View
- 55 19.31 eV View
- 56 19.40 eV View
- 57 19.77 eV View
- 58 20.01 eV View
- 59 20.28 eV View
- 60 20.60 eV View
- 61 20.83 eV View
- 62 21.01 eV View
- 63 21.18 eV View
- 64 21.56 eV View
- 65 21.74 eV View
- 66 21.95 eV View
- 67 22.30 eV View
- 68 22.42 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 33.07 cm-1 View
- 2 50.67 cm-1 View
- 3 59.33 cm-1 View
- 4 80.90 cm-1 View
- 5 83.22 cm-1 View
- 6 98.99 cm-1 View
- 7 120.96 cm-1 View
- 8 137.10 cm-1 View
- 9 185.31 cm-1 View
- 10 215.22 cm-1 View
- 11 221.89 cm-1 View
- 12 254.21 cm-1 View
- 13 341.38 cm-1 View
- 14 386.42 cm-1 View
- 15 487.00 cm-1 View
- 16 512.15 cm-1 View
- 17 566.17 cm-1 View
- 18 778.50 cm-1 View
- 19 787.23 cm-1 View
- 20 825.50 cm-1 View
- 21 867.27 cm-1 View
- 22 877.69 cm-1 View
- 23 929.96 cm-1 View
- 24 972.43 cm-1 View
- 25 984.37 cm-1 View
- 26 1008.16 cm-1 View
- 27 1019.87 cm-1 View
- 28 1028.61 cm-1 View
- 29 1056.31 cm-1 View
- 30 1072.81 cm-1 View
- 31 1093.76 cm-1 View
- 32 1101.15 cm-1 View
- 33 1103.74 cm-1 View
- 34 1113.87 cm-1 View
- 35 1128.61 cm-1 View
- 36 1128.83 cm-1 View
- 37 1135.60 cm-1 View
- 38 1146.34 cm-1 View
- 39 1149.02 cm-1 View
- 40 1163.23 cm-1 View
- 41 1171.21 cm-1 View
- 42 1171.90 cm-1 View
- 43 1188.07 cm-1 View
- 44 1194.56 cm-1 View
- 45 1249.83 cm-1 View
- 46 1265.69 cm-1 View
- 47 1292.29 cm-1 View
- 48 1321.63 cm-1 View
- 49 1342.90 cm-1 View
- 50 1369.04 cm-1 View
- 51 1370.32 cm-1 View
- 52 1374.68 cm-1 View
- 53 1385.14 cm-1 View
- 54 1389.84 cm-1 View
- 55 1393.63 cm-1 View
- 56 1401.47 cm-1 View
- 57 1421.42 cm-1 View
- 58 1432.36 cm-1 View
- 59 1668.65 cm-1 View
- 60 1670.88 cm-1 View
- 61 2897.16 cm-1 View
- 62 2902.19 cm-1 View
- 63 2904.85 cm-1 View
- 64 2911.29 cm-1 View
- 65 2915.52 cm-1 View
- 66 2918.57 cm-1 View
- 67 2981.88 cm-1 View
- 68 2983.81 cm-1 View
- 69 2984.67 cm-1 View
- 70 2986.67 cm-1 View
- 71 2989.31 cm-1 View
- 72 2992.01 cm-1 View
- 73 3360.26 cm-1 View
- 74 3362.95 cm-1 View
- 75 3388.03 cm-1 View
- 76 3388.38 cm-1 View
- 77 3523.20 cm-1 View
- 78 3523.32 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 3.73 | kJ mol-1 |
| Polar Solvation Energy | -27.54 | kJ mol-1 |
| Nonpolar Solvation Energy | 31.27 | kJ mol-1 |
| Surface Area | 153.70 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.27 | Debye |