Thiophene
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 | 176.99 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 186.91 | 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 | 39.23 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 72.49 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.01 | J mol-1 K-1 |
| Rotational | 105.67 | J mol-1 K-1 |
| Vibrational | 15.86 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 285.54 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 128.41 | kJ mol-1 |
Molecular Orbitals
- 1 -2474.87 eV View
- 2 -300.68 eV View
- 3 -300.68 eV View
- 4 -300.21 eV View
- 5 -300.21 eV View
- 6 -240.07 eV View
- 7 -175.75 eV View
- 8 -175.69 eV View
- 9 -175.61 eV View
- 10 -30.44 eV View
- 11 -25.29 eV View
- 12 -25.19 eV View
- 13 -19.42 eV View
- 14 -18.93 eV View
- 15 -17.65 eV View
- 16 -14.31 eV View
- 17 -13.22 eV View
- 18 -13.06 eV View
- 19 -12.91 eV View
- 20 -11.23 eV View
- 21 -8.16 eV View
- 22 -7.46 eV View
- 23 6.68 eV View
- 24 10.44 eV View
- 25 10.82 eV View
- 26 13.59 eV View
- 27 16.30 eV View
- 28 18.17 eV View
- 29 19.51 eV View
- 30 21.44 eV View
- 31 23.87 eV View
- 32 24.92 eV View
- 33 29.15 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 384.07 cm-1 View
- 2 497.16 cm-1 View
- 3 595.07 cm-1 View
- 4 688.47 cm-1 View
- 5 750.80 cm-1 View
- 6 790.37 cm-1 View
- 7 797.28 cm-1 View
- 8 875.84 cm-1 View
- 9 934.41 cm-1 View
- 10 982.17 cm-1 View
- 11 1069.23 cm-1 View
- 12 1075.87 cm-1 View
- 13 1100.91 cm-1 View
- 14 1191.98 cm-1 View
- 15 1438.13 cm-1 View
- 16 1597.61 cm-1 View
- 17 1709.39 cm-1 View
- 18 3116.28 cm-1 View
- 19 3122.61 cm-1 View
- 20 3138.72 cm-1 View
- 21 3146.00 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -1.03 | kJ mol-1 |
| Polar Solvation Energy | -10.17 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.15 | kJ mol-1 |
| Surface Area | 91.98 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.23 | Debye |