Hexane
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 | 503.60 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 513.51 | 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 | 98.20 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 131.46 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.31 | J mol-1 K-1 |
| Rotational | 113.93 | J mol-1 K-1 |
| Vibrational | 94.23 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 372.48 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -166.78 | kJ mol-1 |
Molecular Orbitals
- 1 -300.37 eV View
- 2 -300.37 eV View
- 3 -300.28 eV View
- 4 -300.28 eV View
- 5 -300.16 eV View
- 6 -300.16 eV View
- 7 -28.55 eV View
- 8 -27.21 eV View
- 9 -25.10 eV View
- 10 -22.60 eV View
- 11 -20.63 eV View
- 12 -20.43 eV View
- 13 -16.87 eV View
- 14 -15.73 eV View
- 15 -15.34 eV View
- 16 -14.92 eV View
- 17 -14.14 eV View
- 18 -13.48 eV View
- 19 -13.36 eV View
- 20 -12.61 eV View
- 21 -12.21 eV View
- 22 -11.65 eV View
- 23 -11.64 eV View
- 24 -11.38 eV View
- 25 -10.64 eV View
- 26 15.57 eV View
- 27 15.89 eV View
- 28 16.90 eV View
- 29 17.80 eV View
- 30 17.92 eV View
- 31 18.53 eV View
- 32 18.78 eV View
- 33 19.00 eV View
- 34 19.98 eV View
- 35 20.15 eV View
- 36 20.43 eV View
- 37 20.55 eV View
- 38 20.85 eV View
- 39 21.35 eV View
- 40 21.59 eV View
- 41 21.69 eV View
- 42 22.03 eV View
- 43 22.20 eV View
- 44 22.65 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 66.47 cm-1 View
- 2 92.73 cm-1 View
- 3 120.84 cm-1 View
- 4 160.49 cm-1 View
- 5 194.43 cm-1 View
- 6 200.36 cm-1 View
- 7 333.65 cm-1 View
- 8 400.89 cm-1 View
- 9 506.04 cm-1 View
- 10 760.59 cm-1 View
- 11 793.78 cm-1 View
- 12 857.72 cm-1 View
- 13 932.73 cm-1 View
- 14 952.61 cm-1 View
- 15 963.93 cm-1 View
- 16 987.86 cm-1 View
- 17 1098.61 cm-1 View
- 18 1116.95 cm-1 View
- 19 1117.54 cm-1 View
- 20 1130.63 cm-1 View
- 21 1132.32 cm-1 View
- 22 1148.14 cm-1 View
- 23 1150.57 cm-1 View
- 24 1160.33 cm-1 View
- 25 1163.74 cm-1 View
- 26 1164.02 cm-1 View
- 27 1220.60 cm-1 View
- 28 1284.70 cm-1 View
- 29 1354.73 cm-1 View
- 30 1383.55 cm-1 View
- 31 1385.80 cm-1 View
- 32 1409.07 cm-1 View
- 33 1409.10 cm-1 View
- 34 1410.11 cm-1 View
- 35 1411.78 cm-1 View
- 36 1412.39 cm-1 View
- 37 1412.72 cm-1 View
- 38 1424.71 cm-1 View
- 39 1431.03 cm-1 View
- 40 1439.18 cm-1 View
- 41 2938.36 cm-1 View
- 42 2948.15 cm-1 View
- 43 2956.61 cm-1 View
- 44 2959.84 cm-1 View
- 45 3027.56 cm-1 View
- 46 3030.85 cm-1 View
- 47 3033.85 cm-1 View
- 48 3034.50 cm-1 View
- 49 3078.69 cm-1 View
- 50 3078.72 cm-1 View
- 51 3084.60 cm-1 View
- 52 3084.64 cm-1 View
- 53 3181.68 cm-1 View
- 54 3181.69 cm-1 View