1h-pentazole
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 | 90.10 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 100.02 | 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 | 22.47 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 55.73 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.91 | J mol-1 K-1 |
| Rotational | 99.14 | J mol-1 K-1 |
| Vibrational | 8.50 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 269.55 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 504.45 | kJ mol-1 |
Molecular Orbitals
- 1 -423.52 eV View
- 2 -421.98 eV View
- 3 -421.97 eV View
- 4 -420.91 eV View
- 5 -420.89 eV View
- 6 -42.21 eV View
- 7 -34.62 eV View
- 8 -34.30 eV View
- 9 -25.22 eV View
- 10 -23.84 eV View
- 11 -20.92 eV View
- 12 -18.63 eV View
- 13 -15.78 eV View
- 14 -12.62 eV View
- 15 -11.99 eV View
- 16 -11.90 eV View
- 17 -11.79 eV View
- 18 -11.44 eV View
- 19 5.10 eV View
- 20 7.35 eV View
- 21 13.28 eV View
- 22 14.71 eV View
- 23 16.94 eV View
- 24 19.78 eV View
- 25 21.15 eV View
- 26 24.05 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -40.44 | kJ mol-1 |
| Polar Solvation Energy | -44.88 | kJ mol-1 |
| Nonpolar Solvation Energy | 4.47 | kJ mol-1 |
| Surface Area | 77.72 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.37 | Debye |