Thiane
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 | 374.31 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 384.22 | 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 | 74.18 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 107.44 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.43 | J mol-1 K-1 |
| Rotational | 113.18 | J mol-1 K-1 |
| Vibrational | 45.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 325.22 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -65.70 | kJ mol-1 |
Molecular Orbitals
- 1 -2472.54 eV View
- 2 -301.26 eV View
- 3 -301.26 eV View
- 4 -300.86 eV View
- 5 -300.86 eV View
- 6 -300.75 eV View
- 7 -237.95 eV View
- 8 -173.64 eV View
- 9 -173.57 eV View
- 10 -173.49 eV View
- 11 -29.47 eV View
- 12 -26.83 eV View
- 13 -26.16 eV View
- 14 -21.92 eV View
- 15 -21.63 eV View
- 16 -19.52 eV View
- 17 -16.77 eV View
- 18 -15.95 eV View
- 19 -15.68 eV View
- 20 -14.86 eV View
- 21 -14.05 eV View
- 22 -13.31 eV View
- 23 -12.70 eV View
- 24 -12.40 eV View
- 25 -12.00 eV View
- 26 -10.69 eV View
- 27 -9.56 eV View
- 28 -7.61 eV View
- 29 11.04 eV View
- 30 12.05 eV View
- 31 15.46 eV View
- 32 16.29 eV View
- 33 16.89 eV View
- 34 17.36 eV View
- 35 17.56 eV View
- 36 18.98 eV View
- 37 19.30 eV View
- 38 19.53 eV View
- 39 20.18 eV View
- 40 20.47 eV View
- 41 20.89 eV View
- 42 21.04 eV View
- 43 21.78 eV View
- 44 21.78 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 147.88 cm-1 View
- 2 200.13 cm-1 View
- 3 325.83 cm-1 View
- 4 361.68 cm-1 View
- 5 415.64 cm-1 View
- 6 540.09 cm-1 View
- 7 688.50 cm-1 View
- 8 710.26 cm-1 View
- 9 814.35 cm-1 View
- 10 847.35 cm-1 View
- 11 908.76 cm-1 View
- 12 917.20 cm-1 View
- 13 931.85 cm-1 View
- 14 1005.95 cm-1 View
- 15 1016.45 cm-1 View
- 16 1030.45 cm-1 View
- 17 1088.66 cm-1 View
- 18 1097.82 cm-1 View
- 19 1136.40 cm-1 View
- 20 1151.73 cm-1 View
- 21 1156.53 cm-1 View
- 22 1158.50 cm-1 View
- 23 1216.27 cm-1 View
- 24 1238.59 cm-1 View
- 25 1290.36 cm-1 View
- 26 1333.43 cm-1 View
- 27 1356.38 cm-1 View
- 28 1384.66 cm-1 View
- 29 1385.37 cm-1 View
- 30 1401.02 cm-1 View
- 31 1402.34 cm-1 View
- 32 1410.52 cm-1 View
- 33 2951.57 cm-1 View
- 34 2954.49 cm-1 View
- 35 2961.36 cm-1 View
- 36 2987.36 cm-1 View
- 37 2987.94 cm-1 View
- 38 3030.48 cm-1 View
- 39 3033.29 cm-1 View
- 40 3039.39 cm-1 View
- 41 3059.70 cm-1 View
- 42 3060.30 cm-1 View