2,6-dimethylocta-2,6-diene
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 | 686.90 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 696.82 | 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 | 165.25 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 198.51 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.21 | J mol-1 K-1 |
| Rotational | 127.61 | J mol-1 K-1 |
| Vibrational | 177.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 474.83 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -67.33 | kJ mol-1 |
Molecular Orbitals
- 1 -300.38 eV View
- 2 -300.35 eV View
- 3 -300.33 eV View
- 4 -300.29 eV View
- 5 -300.27 eV View
- 6 -300.25 eV View
- 7 -299.83 eV View
- 8 -299.74 eV View
- 9 -299.37 eV View
- 10 -299.33 eV View
- 11 -29.05 eV View
- 12 -28.39 eV View
- 13 -26.68 eV View
- 14 -25.30 eV View
- 15 -24.44 eV View
- 16 -23.96 eV View
- 17 -22.61 eV View
- 18 -20.92 eV View
- 19 -18.28 eV View
- 20 -17.69 eV View
- 21 -16.51 eV View
- 22 -15.97 eV View
- 23 -15.53 eV View
- 24 -15.21 eV View
- 25 -14.97 eV View
- 26 -14.69 eV View
- 27 -14.09 eV View
- 28 -13.91 eV View
- 29 -13.74 eV View
- 30 -13.46 eV View
- 31 -13.12 eV View
- 32 -12.85 eV View
- 33 -12.63 eV View
- 34 -12.40 eV View
- 35 -11.60 eV View
- 36 -11.32 eV View
- 37 -10.80 eV View
- 38 -7.49 eV View
- 39 -7.24 eV View
- 40 8.58 eV View
- 41 8.76 eV View
- 42 15.32 eV View
- 43 16.16 eV View
- 44 16.81 eV View
- 45 17.49 eV View
- 46 17.90 eV View
- 47 18.26 eV View
- 48 18.70 eV View
- 49 18.91 eV View
- 50 19.01 eV View
- 51 19.35 eV View
- 52 19.53 eV View
- 53 19.58 eV View
- 54 19.88 eV View
- 55 20.02 eV View
- 56 20.09 eV View
- 57 20.40 eV View
- 58 20.49 eV View
- 59 20.71 eV View
- 60 20.89 eV View
- 61 21.23 eV View
- 62 21.58 eV View
- 63 21.66 eV View
- 64 23.15 eV View
- 65 26.26 eV View
- 66 26.55 eV View
- 67 29.31 eV View
- 68 29.38 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 29.14 cm-1 View
- 2 43.58 cm-1 View
- 3 55.58 cm-1 View
- 4 56.96 cm-1 View
- 5 70.15 cm-1 View
- 6 102.96 cm-1 View
- 7 121.25 cm-1 View
- 8 133.12 cm-1 View
- 9 209.86 cm-1 View
- 10 230.12 cm-1 View
- 11 277.99 cm-1 View
- 12 292.98 cm-1 View
- 13 333.16 cm-1 View
- 14 410.60 cm-1 View
- 15 434.29 cm-1 View
- 16 483.66 cm-1 View
- 17 506.78 cm-1 View
- 18 577.88 cm-1 View
- 19 613.59 cm-1 View
- 20 783.04 cm-1 View
- 21 826.96 cm-1 View
- 22 865.99 cm-1 View
- 23 914.15 cm-1 View
- 24 940.59 cm-1 View
- 25 945.76 cm-1 View
- 26 964.64 cm-1 View
- 27 987.06 cm-1 View
- 28 998.49 cm-1 View
- 29 1005.61 cm-1 View
- 30 1026.12 cm-1 View
- 31 1046.38 cm-1 View
- 32 1056.58 cm-1 View
- 33 1062.38 cm-1 View
- 34 1074.42 cm-1 View
- 35 1107.33 cm-1 View
- 36 1145.63 cm-1 View
- 37 1163.33 cm-1 View
- 38 1182.67 cm-1 View
- 39 1218.27 cm-1 View
- 40 1229.29 cm-1 View
- 41 1292.51 cm-1 View
- 42 1323.39 cm-1 View
- 43 1341.35 cm-1 View
- 44 1374.43 cm-1 View
- 45 1378.10 cm-1 View
- 46 1379.65 cm-1 View
- 47 1387.37 cm-1 View
- 48 1392.09 cm-1 View
- 49 1392.43 cm-1 View
- 50 1394.29 cm-1 View
- 51 1397.52 cm-1 View
- 52 1400.81 cm-1 View
- 53 1403.99 cm-1 View
- 54 1412.49 cm-1 View
- 55 1426.46 cm-1 View
- 56 1440.40 cm-1 View
- 57 1476.75 cm-1 View
- 58 1481.91 cm-1 View
- 59 1896.75 cm-1 View
- 60 1899.08 cm-1 View
- 61 2852.79 cm-1 View
- 62 2940.53 cm-1 View
- 63 2992.67 cm-1 View
- 64 3016.73 cm-1 View
- 65 3025.40 cm-1 View
- 66 3035.73 cm-1 View
- 67 3037.50 cm-1 View
- 68 3045.23 cm-1 View
- 69 3061.84 cm-1 View
- 70 3066.89 cm-1 View
- 71 3073.24 cm-1 View
- 72 3076.28 cm-1 View
- 73 3085.97 cm-1 View
- 74 3090.83 cm-1 View
- 75 3148.92 cm-1 View
- 76 3168.63 cm-1 View
- 77 3170.79 cm-1 View
- 78 3181.33 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 21.46 | kJ mol-1 |
| Polar Solvation Energy | -4.69 | kJ mol-1 |
| Nonpolar Solvation Energy | 26.17 | kJ mol-1 |
| Surface Area | 152.61 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.55 | Debye |