Benzene-1,3,5-triamine
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 | 413.31 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 423.23 | 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 | 113.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 146.68 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.77 | J mol-1 K-1 |
| Rotational | 121.73 | J mol-1 K-1 |
| Vibrational | 79.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 370.37 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 69.56 | kJ mol-1 |
Molecular Orbitals
- 1 -417.19 eV View
- 2 -417.19 eV View
- 3 -417.18 eV View
- 4 -301.34 eV View
- 5 -301.33 eV View
- 6 -301.33 eV View
- 7 -299.13 eV View
- 8 -299.12 eV View
- 9 -299.12 eV View
- 10 -31.76 eV View
- 11 -31.13 eV View
- 12 -31.13 eV View
- 13 -27.89 eV View
- 14 -24.89 eV View
- 15 -24.89 eV View
- 16 -20.47 eV View
- 17 -20.47 eV View
- 18 -17.87 eV View
- 19 -17.18 eV View
- 20 -16.26 eV View
- 21 -16.25 eV View
- 22 -16.24 eV View
- 23 -14.54 eV View
- 24 -14.43 eV View
- 25 -13.53 eV View
- 26 -13.45 eV View
- 27 -12.24 eV View
- 28 -11.98 eV View
- 29 -11.41 eV View
- 30 -11.18 eV View
- 31 -8.57 eV View
- 32 -6.11 eV View
- 33 -6.11 eV View
- 34 7.85 eV View
- 35 7.85 eV View
- 36 13.85 eV View
- 37 15.54 eV View
- 38 16.48 eV View
- 39 16.49 eV View
- 40 17.47 eV View
- 41 18.49 eV View
- 42 18.60 eV View
- 43 19.34 eV View
- 44 19.34 eV View
- 45 19.84 eV View
- 46 20.23 eV View
- 47 20.92 eV View
- 48 20.96 eV View
- 49 24.09 eV View
- 50 24.10 eV View
- 51 25.74 eV View
- 52 25.74 eV View
- 53 30.28 eV View
- 54 31.17 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 186.68 cm-1 View
- 2 190.83 cm-1 View
- 3 191.66 cm-1 View
- 4 252.16 cm-1 View
- 5 258.55 cm-1 View
- 6 261.35 cm-1 View
- 7 329.93 cm-1 View
- 8 330.06 cm-1 View
- 9 522.60 cm-1 View
- 10 523.92 cm-1 View
- 11 555.95 cm-1 View
- 12 565.93 cm-1 View
- 13 567.49 cm-1 View
- 14 620.53 cm-1 View
- 15 645.22 cm-1 View
- 16 875.54 cm-1 View
- 17 876.89 cm-1 View
- 18 894.21 cm-1 View
- 19 978.64 cm-1 View
- 20 985.53 cm-1 View
- 21 1001.85 cm-1 View
- 22 1075.63 cm-1 View
- 23 1091.42 cm-1 View
- 24 1091.74 cm-1 View
- 25 1099.53 cm-1 View
- 26 1148.23 cm-1 View
- 27 1148.53 cm-1 View
- 28 1212.89 cm-1 View
- 29 1212.91 cm-1 View
- 30 1272.79 cm-1 View
- 31 1377.77 cm-1 View
- 32 1502.96 cm-1 View
- 33 1592.08 cm-1 View
- 34 1592.11 cm-1 View
- 35 1678.05 cm-1 View
- 36 1678.20 cm-1 View
- 37 1682.83 cm-1 View
- 38 1781.94 cm-1 View
- 39 1781.99 cm-1 View
- 40 3046.54 cm-1 View
- 41 3046.66 cm-1 View
- 42 3049.93 cm-1 View
- 43 3410.24 cm-1 View
- 44 3410.90 cm-1 View
- 45 3410.94 cm-1 View
- 46 3531.23 cm-1 View
- 47 3531.56 cm-1 View
- 48 3531.61 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -16.39 | kJ mol-1 |
| Polar Solvation Energy | -27.04 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.66 | kJ mol-1 |
| Surface Area | 119.60 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.29 | Debye |