Hexane-1-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 | 499.42 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 509.33 | 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 | 119.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 153.07 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.25 | J mol-1 K-1 |
| Rotational | 121.36 | J mol-1 K-1 |
| Vibrational | 125.56 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 415.17 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -131.67 | kJ mol-1 |
Molecular Orbitals
- 1 -2472.98 eV View
- 2 -301.52 eV View
- 3 -300.87 eV View
- 4 -300.65 eV View
- 5 -300.54 eV View
- 6 -300.52 eV View
- 7 -300.28 eV View
- 8 -238.38 eV View
- 9 -174.08 eV View
- 10 -174.00 eV View
- 11 -173.91 eV View
- 12 -29.02 eV View
- 13 -27.88 eV View
- 14 -26.14 eV View
- 15 -24.08 eV View
- 16 -21.97 eV View
- 17 -20.92 eV View
- 18 -20.64 eV View
- 19 -17.29 eV View
- 20 -16.26 eV View
- 21 -15.46 eV View
- 22 -14.95 eV View
- 23 -14.67 eV View
- 24 -14.11 eV View
- 25 -13.50 eV View
- 26 -13.00 eV View
- 27 -12.49 eV View
- 28 -12.03 eV View
- 29 -11.95 eV View
- 30 -11.64 eV View
- 31 -11.60 eV View
- 32 -10.14 eV View
- 33 -8.25 eV View
- 34 11.08 eV View
- 35 13.34 eV View
- 36 15.24 eV View
- 37 15.98 eV View
- 38 16.51 eV View
- 39 17.56 eV View
- 40 17.97 eV View
- 41 18.10 eV View
- 42 18.28 eV View
- 43 19.23 eV View
- 44 19.66 eV View
- 45 19.75 eV View
- 46 20.08 eV View
- 47 20.32 eV View
- 48 20.84 eV View
- 49 21.14 eV View
- 50 21.25 eV View
- 51 21.67 eV View
- 52 21.89 eV View
- 53 22.32 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 53.95 cm-1 View
- 2 70.94 cm-1 View
- 3 104.39 cm-1 View
- 4 111.04 cm-1 View
- 5 119.57 cm-1 View
- 6 188.57 cm-1 View
- 7 197.95 cm-1 View
- 8 240.95 cm-1 View
- 9 288.56 cm-1 View
- 10 442.25 cm-1 View
- 11 488.29 cm-1 View
- 12 736.90 cm-1 View
- 13 763.36 cm-1 View
- 14 784.14 cm-1 View
- 15 817.94 cm-1 View
- 16 881.30 cm-1 View
- 17 938.28 cm-1 View
- 18 958.57 cm-1 View
- 19 984.18 cm-1 View
- 20 1049.05 cm-1 View
- 21 1092.01 cm-1 View
- 22 1113.12 cm-1 View
- 23 1117.26 cm-1 View
- 24 1126.77 cm-1 View
- 25 1128.63 cm-1 View
- 26 1134.97 cm-1 View
- 27 1150.29 cm-1 View
- 28 1153.23 cm-1 View
- 29 1161.74 cm-1 View
- 30 1168.13 cm-1 View
- 31 1194.63 cm-1 View
- 32 1238.02 cm-1 View
- 33 1297.80 cm-1 View
- 34 1356.94 cm-1 View
- 35 1373.18 cm-1 View
- 36 1384.42 cm-1 View
- 37 1400.13 cm-1 View
- 38 1407.63 cm-1 View
- 39 1408.76 cm-1 View
- 40 1411.66 cm-1 View
- 41 1417.22 cm-1 View
- 42 1422.77 cm-1 View
- 43 1435.82 cm-1 View
- 44 1709.03 cm-1 View
- 45 2937.87 cm-1 View
- 46 2946.51 cm-1 View
- 47 2954.88 cm-1 View
- 48 2959.52 cm-1 View
- 49 2978.69 cm-1 View
- 50 3025.99 cm-1 View
- 51 3028.91 cm-1 View
- 52 3030.44 cm-1 View
- 53 3034.09 cm-1 View
- 54 3052.76 cm-1 View
- 55 3078.81 cm-1 View
- 56 3084.96 cm-1 View
- 57 3181.80 cm-1 View