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 | 396.85 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 406.76 | 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 | 106.37 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 139.62 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.77 | J mol-1 K-1 |
| Rotational | 121.65 | J mol-1 K-1 |
| Vibrational | 70.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 361.30 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 124.05 | kJ mol-1 |
Molecular Orbitals
- 1 -416.74 eV View
- 2 -416.74 eV View
- 3 -416.74 eV View
- 4 -301.28 eV View
- 5 -301.28 eV View
- 6 -301.27 eV View
- 7 -298.42 eV View
- 8 -298.42 eV View
- 9 -298.41 eV View
- 10 -31.34 eV View
- 11 -30.67 eV View
- 12 -30.67 eV View
- 13 -27.40 eV View
- 14 -24.48 eV View
- 15 -24.48 eV View
- 16 -20.33 eV View
- 17 -20.33 eV View
- 18 -17.96 eV View
- 19 -17.22 eV View
- 20 -16.52 eV View
- 21 -16.52 eV View
- 22 -16.11 eV View
- 23 -14.29 eV View
- 24 -14.29 eV View
- 25 -13.34 eV View
- 26 -13.34 eV View
- 27 -11.75 eV View
- 28 -11.75 eV View
- 29 -11.27 eV View
- 30 -11.27 eV View
- 31 -7.80 eV View
- 32 -5.44 eV View
- 33 -5.44 eV View
- 34 8.54 eV View
- 35 8.54 eV View
- 36 14.59 eV View
- 37 15.76 eV View
- 38 16.29 eV View
- 39 16.29 eV View
- 40 17.43 eV View
- 41 18.67 eV View
- 42 18.67 eV View
- 43 19.66 eV View
- 44 19.66 eV View
- 45 20.83 eV View
- 46 21.20 eV View
- 47 22.37 eV View
- 48 22.37 eV View
- 49 24.66 eV View
- 50 24.66 eV View
- 51 26.96 eV View
- 52 26.96 eV View
- 53 30.92 eV View
- 54 31.76 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 6.02 cm-1 View
- 2 15.86 cm-1 View
- 3 16.40 cm-1 View
- 4 187.15 cm-1 View
- 5 189.57 cm-1 View
- 6 189.63 cm-1 View
- 7 329.64 cm-1 View
- 8 329.66 cm-1 View
- 9 378.52 cm-1 View
- 10 385.80 cm-1 View
- 11 385.86 cm-1 View
- 12 521.83 cm-1 View
- 13 521.84 cm-1 View
- 14 547.93 cm-1 View
- 15 573.65 cm-1 View
- 16 573.74 cm-1 View
- 17 612.25 cm-1 View
- 18 655.03 cm-1 View
- 19 840.61 cm-1 View
- 20 840.65 cm-1 View
- 21 902.60 cm-1 View
- 22 1029.18 cm-1 View
- 23 1029.23 cm-1 View
- 24 1052.97 cm-1 View
- 25 1070.49 cm-1 View
- 26 1155.97 cm-1 View
- 27 1155.98 cm-1 View
- 28 1242.71 cm-1 View
- 29 1242.73 cm-1 View
- 30 1278.90 cm-1 View
- 31 1406.59 cm-1 View
- 32 1526.37 cm-1 View
- 33 1581.72 cm-1 View
- 34 1581.75 cm-1 View
- 35 1630.83 cm-1 View
- 36 1630.86 cm-1 View
- 37 1632.15 cm-1 View
- 38 1766.91 cm-1 View
- 39 1766.95 cm-1 View
- 40 3057.24 cm-1 View
- 41 3057.30 cm-1 View
- 42 3060.28 cm-1 View
- 43 3498.88 cm-1 View
- 44 3498.91 cm-1 View
- 45 3498.96 cm-1 View
- 46 3555.93 cm-1 View
- 47 3555.99 cm-1 View
- 48 3556.04 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -12.69 | kJ mol-1 |
| Polar Solvation Energy | -22.43 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.74 | kJ mol-1 |
| Surface Area | 119.63 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.01 | Debye |