2-methylpropane-2-thiol
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 | 346.80 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 356.72 | 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 | 86.52 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 119.78 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.87 | J mol-1 K-1 |
| Rotational | 110.87 | J mol-1 K-1 |
| Vibrational | 70.14 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 345.88 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -74.67 | kJ mol-1 |
Molecular Orbitals
- 1 -2472.69 eV View
- 2 -301.96 eV View
- 3 -300.67 eV View
- 4 -300.67 eV View
- 5 -300.58 eV View
- 6 -238.13 eV View
- 7 -173.83 eV View
- 8 -173.74 eV View
- 9 -173.65 eV View
- 10 -29.42 eV View
- 11 -24.71 eV View
- 12 -24.68 eV View
- 13 -24.27 eV View
- 14 -19.29 eV View
- 15 -16.26 eV View
- 16 -15.83 eV View
- 17 -15.81 eV View
- 18 -14.25 eV View
- 19 -14.19 eV View
- 20 -13.40 eV View
- 21 -12.65 eV View
- 22 -12.20 eV View
- 23 -11.88 eV View
- 24 -10.02 eV View
- 25 -8.20 eV View
- 26 10.35 eV View
- 27 13.27 eV View
- 28 16.33 eV View
- 29 16.44 eV View
- 30 17.56 eV View
- 31 18.76 eV View
- 32 18.91 eV View
- 33 19.14 eV View
- 34 19.95 eV View
- 35 20.41 eV View
- 36 20.49 eV View
- 37 20.88 eV View
- 38 21.10 eV View
- 39 21.18 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 149.90 cm-1 View
- 2 174.53 cm-1 View
- 3 193.85 cm-1 View
- 4 205.49 cm-1 View
- 5 261.41 cm-1 View
- 6 273.40 cm-1 View
- 7 381.48 cm-1 View
- 8 424.06 cm-1 View
- 9 424.67 cm-1 View
- 10 646.99 cm-1 View
- 11 912.50 cm-1 View
- 12 920.72 cm-1 View
- 13 956.56 cm-1 View
- 14 959.63 cm-1 View
- 15 967.30 cm-1 View
- 16 1002.30 cm-1 View
- 17 1007.62 cm-1 View
- 18 1191.05 cm-1 View
- 19 1281.68 cm-1 View
- 20 1297.41 cm-1 View
- 21 1386.82 cm-1 View
- 22 1391.11 cm-1 View
- 23 1394.50 cm-1 View
- 24 1394.79 cm-1 View
- 25 1395.93 cm-1 View
- 26 1396.95 cm-1 View
- 27 1404.34 cm-1 View
- 28 1405.10 cm-1 View
- 29 1408.90 cm-1 View
- 30 1709.65 cm-1 View
- 31 3073.02 cm-1 View
- 32 3073.71 cm-1 View
- 33 3073.79 cm-1 View
- 34 3079.83 cm-1 View
- 35 3080.86 cm-1 View
- 36 3081.99 cm-1 View
- 37 3170.03 cm-1 View
- 38 3172.46 cm-1 View
- 39 3173.27 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -0.78 | kJ mol-1 |
| Polar Solvation Energy | -19.17 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.39 | kJ mol-1 |
| Surface Area | 102.74 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.73 | Debye |