2,2-dimethylhexane ethane
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 | 801.82 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 811.73 | 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 | 208.69 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 241.95 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.57 | J mol-1 K-1 |
| Rotational | 129.27 | J mol-1 K-1 |
| Vibrational | 240.85 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 540.68 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 79.47 | kJ mol-1 |
Molecular Orbitals
- 1 -300.76 eV View
- 2 -300.55 eV View
- 3 -300.33 eV View
- 4 -300.22 eV View
- 5 -300.19 eV View
- 6 -300.07 eV View
- 7 -300.07 eV View
- 8 -300.06 eV View
- 9 -299.85 eV View
- 10 -298.48 eV View
- 11 -29.32 eV View
- 12 -27.85 eV View
- 13 -26.68 eV View
- 14 -25.38 eV View
- 15 -24.21 eV View
- 16 -24.06 eV View
- 17 -22.51 eV View
- 18 -21.80 eV View
- 19 -19.33 eV View
- 20 -17.98 eV View
- 21 -16.15 eV View
- 22 -15.93 eV View
- 23 -15.75 eV View
- 24 -15.68 eV View
- 25 -15.40 eV View
- 26 -15.13 eV View
- 27 -14.54 eV View
- 28 -14.39 eV View
- 29 -13.59 eV View
- 30 -13.35 eV View
- 31 -12.98 eV View
- 32 -12.93 eV View
- 33 -12.89 eV View
- 34 -12.66 eV View
- 35 -12.34 eV View
- 36 -12.16 eV View
- 37 -11.81 eV View
- 38 -11.29 eV View
- 39 -11.20 eV View
- 40 -10.51 eV View
- 41 -6.66 eV View
- 42 6.98 eV View
- 43 15.64 eV View
- 44 16.09 eV View
- 45 16.10 eV View
- 46 16.30 eV View
- 47 17.31 eV View
- 48 17.43 eV View
- 49 17.56 eV View
- 50 18.18 eV View
- 51 18.62 eV View
- 52 18.88 eV View
- 53 19.07 eV View
- 54 19.31 eV View
- 55 19.79 eV View
- 56 19.92 eV View
- 57 20.09 eV View
- 58 20.31 eV View
- 59 20.51 eV View
- 60 20.55 eV View
- 61 20.73 eV View
- 62 20.84 eV View
- 63 20.96 eV View
- 64 21.15 eV View
- 65 21.32 eV View
- 66 21.68 eV View
- 67 21.81 eV View
- 68 22.08 eV View
- 69 22.33 eV View
- 70 23.17 eV View
- 71 24.35 eV View
- 72 24.94 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 27.93 cm-1 View
- 2 39.41 cm-1 View
- 3 58.01 cm-1 View
- 4 65.28 cm-1 View
- 5 79.22 cm-1 View
- 6 95.90 cm-1 View
- 7 111.11 cm-1 View
- 8 125.36 cm-1 View
- 9 159.79 cm-1 View
- 10 169.50 cm-1 View
- 11 185.71 cm-1 View
- 12 216.22 cm-1 View
- 13 218.51 cm-1 View
- 14 235.13 cm-1 View
- 15 304.80 cm-1 View
- 16 329.31 cm-1 View
- 17 342.99 cm-1 View
- 18 394.27 cm-1 View
- 19 413.17 cm-1 View
- 20 448.05 cm-1 View
- 21 500.09 cm-1 View
- 22 541.17 cm-1 View
- 23 653.31 cm-1 View
- 24 685.72 cm-1 View
- 25 882.53 cm-1 View
- 26 892.99 cm-1 View
- 27 897.45 cm-1 View
- 28 910.00 cm-1 View
- 29 952.47 cm-1 View
- 30 960.34 cm-1 View
- 31 962.24 cm-1 View
- 32 966.91 cm-1 View
- 33 968.93 cm-1 View
- 34 989.03 cm-1 View
- 35 1009.31 cm-1 View
- 36 1020.23 cm-1 View
- 37 1097.22 cm-1 View
- 38 1119.52 cm-1 View
- 39 1124.32 cm-1 View
- 40 1128.83 cm-1 View
- 41 1141.39 cm-1 View
- 42 1144.71 cm-1 View
- 43 1173.57 cm-1 View
- 44 1268.68 cm-1 View
- 45 1304.64 cm-1 View
- 46 1312.49 cm-1 View
- 47 1324.94 cm-1 View
- 48 1333.78 cm-1 View
- 49 1359.74 cm-1 View
- 50 1364.99 cm-1 View
- 51 1388.09 cm-1 View
- 52 1391.20 cm-1 View
- 53 1397.32 cm-1 View
- 54 1398.62 cm-1 View
- 55 1400.79 cm-1 View
- 56 1402.57 cm-1 View
- 57 1404.46 cm-1 View
- 58 1405.38 cm-1 View
- 59 1405.55 cm-1 View
- 60 1408.15 cm-1 View
- 61 1409.27 cm-1 View
- 62 1412.12 cm-1 View
- 63 1414.15 cm-1 View
- 64 1415.58 cm-1 View
- 65 1418.09 cm-1 View
- 66 1438.63 cm-1 View
- 67 1456.55 cm-1 View
- 68 1518.79 cm-1 View
- 69 2903.75 cm-1 View
- 70 2913.17 cm-1 View
- 71 2978.22 cm-1 View
- 72 2991.27 cm-1 View
- 73 3028.20 cm-1 View
- 74 3048.84 cm-1 View
- 75 3065.35 cm-1 View
- 76 3075.63 cm-1 View
- 77 3078.30 cm-1 View
- 78 3079.72 cm-1 View
- 79 3080.27 cm-1 View
- 80 3081.33 cm-1 View
- 81 3081.61 cm-1 View
- 82 3085.69 cm-1 View
- 83 3089.78 cm-1 View
- 84 3099.55 cm-1 View
- 85 3163.96 cm-1 View
- 86 3167.78 cm-1 View
- 87 3171.20 cm-1 View
- 88 3171.43 cm-1 View
- 89 3177.17 cm-1 View
- 90 3193.92 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 35.39 | kJ mol-1 |
| Polar Solvation Energy | -10.28 | kJ mol-1 |
| Nonpolar Solvation Energy | 45.69 | kJ mol-1 |
| Surface Area | 138.62 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.39 | Debye |