1,3,5-triazine
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 | 164.74 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 174.66 | 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 | 40.53 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 73.79 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.56 | J mol-1 K-1 |
| Rotational | 106.21 | J mol-1 K-1 |
| Vibrational | 18.11 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 287.88 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 193.12 | kJ mol-1 |
Molecular Orbitals
- 1 -418.39 eV View
- 2 -418.39 eV View
- 3 -418.39 eV View
- 4 -303.32 eV View
- 5 -303.32 eV View
- 6 -303.31 eV View
- 7 -35.39 eV View
- 8 -31.20 eV View
- 9 -31.20 eV View
- 10 -23.45 eV View
- 11 -23.45 eV View
- 12 -19.30 eV View
- 13 -17.83 eV View
- 14 -15.48 eV View
- 15 -15.48 eV View
- 16 -14.88 eV View
- 17 -13.61 eV View
- 18 -9.96 eV View
- 19 -9.96 eV View
- 20 -9.42 eV View
- 21 -9.42 eV View
- 22 5.37 eV View
- 23 5.37 eV View
- 24 11.64 eV View
- 25 15.69 eV View
- 26 16.24 eV View
- 27 16.24 eV View
- 28 19.40 eV View
- 29 19.40 eV View
- 30 22.06 eV View
- 31 22.06 eV View
- 32 24.04 eV View
- 33 27.70 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 360.27 cm-1 View
- 2 360.61 cm-1 View
- 3 631.57 cm-1 View
- 4 631.59 cm-1 View
- 5 655.09 cm-1 View
- 6 898.48 cm-1 View
- 7 933.25 cm-1 View
- 8 933.26 cm-1 View
- 9 953.73 cm-1 View
- 10 977.23 cm-1 View
- 11 1008.06 cm-1 View
- 12 1008.17 cm-1 View
- 13 1076.14 cm-1 View
- 14 1235.56 cm-1 View
- 15 1433.07 cm-1 View
- 16 1433.10 cm-1 View
- 17 1704.17 cm-1 View
- 18 1704.19 cm-1 View
- 19 2982.53 cm-1 View
- 20 2982.60 cm-1 View
- 21 2989.30 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -15.41 | kJ mol-1 |
| Polar Solvation Energy | -22.06 | kJ mol-1 |
| Nonpolar Solvation Energy | 6.65 | kJ mol-1 |
| Surface Area | 91.43 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.02 | Debye |