Benzenethiol
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 | 261.72 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 271.64 | 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 | 73.80 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 107.06 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.37 | J mol-1 K-1 |
| Rotational | 116.18 | J mol-1 K-1 |
| Vibrational | 48.92 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 332.47 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 115.93 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 156.87 cm-1 View
- 2 185.83 cm-1 View
- 3 262.74 cm-1 View
- 4 353.92 cm-1 View
- 5 420.30 cm-1 View
- 6 449.26 cm-1 View
- 7 626.13 cm-1 View
- 8 637.30 cm-1 View
- 9 722.53 cm-1 View
- 10 769.26 cm-1 View
- 11 845.03 cm-1 View
- 12 930.94 cm-1 View
- 13 977.21 cm-1 View
- 14 978.35 cm-1 View
- 15 997.85 cm-1 View
- 16 1016.65 cm-1 View
- 17 1078.75 cm-1 View
- 18 1099.53 cm-1 View
- 19 1150.04 cm-1 View
- 20 1153.89 cm-1 View
- 21 1216.84 cm-1 View
- 22 1263.29 cm-1 View
- 23 1306.11 cm-1 View
- 24 1534.03 cm-1 View
- 25 1548.16 cm-1 View
- 26 1696.34 cm-1 View
- 27 1771.08 cm-1 View
- 28 1780.83 cm-1 View
- 29 3045.53 cm-1 View
- 30 3047.99 cm-1 View
- 31 3059.10 cm-1 View
- 32 3066.13 cm-1 View
- 33 3078.88 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | -18.28 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.31 | kJ mol-1 |
| Surface Area | 107.59 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.34 | Debye |