1,3,5-triazine-2,4,6-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 | 314.09 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 324.01 | 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 | 106.79 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 140.04 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.07 | J mol-1 K-1 |
| Rotational | 120.99 | J mol-1 K-1 |
| Vibrational | 74.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 364.07 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 103.63 | kJ mol-1 |
Molecular Orbitals
- 1 -417.98 eV View
- 2 -417.98 eV View
- 3 -417.97 eV View
- 4 -416.21 eV View
- 5 -416.21 eV View
- 6 -416.21 eV View
- 7 -303.85 eV View
- 8 -303.85 eV View
- 9 -303.84 eV View
- 10 -34.74 eV View
- 11 -32.32 eV View
- 12 -32.32 eV View
- 13 -30.32 eV View
- 14 -29.08 eV View
- 15 -29.08 eV View
- 16 -21.89 eV View
- 17 -21.89 eV View
- 18 -18.95 eV View
- 19 -18.37 eV View
- 20 -17.23 eV View
- 21 -17.22 eV View
- 22 -15.43 eV View
- 23 -15.05 eV View
- 24 -14.93 eV View
- 25 -14.61 eV View
- 26 -13.04 eV View
- 27 -12.40 eV View
- 28 -12.33 eV View
- 29 -9.15 eV View
- 30 -8.47 eV View
- 31 -8.46 eV View
- 32 -7.39 eV View
- 33 -7.38 eV View
- 34 6.74 eV View
- 35 6.76 eV View
- 36 12.30 eV View
- 37 15.58 eV View
- 38 15.84 eV View
- 39 15.84 eV View
- 40 17.63 eV View
- 41 17.67 eV View
- 42 19.13 eV View
- 43 19.46 eV View
- 44 19.47 eV View
- 45 19.48 eV View
- 46 21.18 eV View
- 47 21.20 eV View
- 48 24.25 eV View
- 49 24.83 eV View
- 50 24.83 eV View
- 51 29.07 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 180.64 cm-1 View
- 2 180.86 cm-1 View
- 3 182.79 cm-1 View
- 4 280.32 cm-1 View
- 5 280.80 cm-1 View
- 6 392.30 cm-1 View
- 7 396.31 cm-1 View
- 8 402.82 cm-1 View
- 9 486.40 cm-1 View
- 10 506.65 cm-1 View
- 11 510.42 cm-1 View
- 12 590.54 cm-1 View
- 13 614.87 cm-1 View
- 14 643.75 cm-1 View
- 15 691.43 cm-1 View
- 16 740.14 cm-1 View
- 17 775.00 cm-1 View
- 18 783.66 cm-1 View
- 19 1024.66 cm-1 View
- 20 1030.93 cm-1 View
- 21 1067.78 cm-1 View
- 22 1068.30 cm-1 View
- 23 1158.86 cm-1 View
- 24 1159.18 cm-1 View
- 25 1262.30 cm-1 View
- 26 1488.24 cm-1 View
- 27 1488.58 cm-1 View
- 28 1549.62 cm-1 View
- 29 1648.98 cm-1 View
- 30 1649.07 cm-1 View
- 31 1672.22 cm-1 View
- 32 1672.48 cm-1 View
- 33 1681.73 cm-1 View
- 34 3436.79 cm-1 View
- 35 3437.75 cm-1 View
- 36 3438.16 cm-1 View
- 37 3535.39 cm-1 View
- 38 3535.66 cm-1 View
- 39 3535.85 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -24.93 | kJ mol-1 |
| Polar Solvation Energy | -41.65 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.68 | kJ mol-1 |
| Surface Area | 124.60 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.86 | Debye |