(1r,3s)-1,3-dimethylcyclohexane
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 | 600.43 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 610.35 | 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 | 114.46 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 147.72 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.61 | J mol-1 K-1 |
| Rotational | 117.63 | J mol-1 K-1 |
| Vibrational | 74.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 360.17 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -169.15 | kJ mol-1 |
Molecular Orbitals
- 1 -300.47 eV View
- 2 -300.47 eV View
- 3 -300.26 eV View
- 4 -300.22 eV View
- 5 -300.22 eV View
- 6 -300.18 eV View
- 7 -300.04 eV View
- 8 -300.04 eV View
- 9 -29.60 eV View
- 10 -27.24 eV View
- 11 -26.54 eV View
- 12 -24.21 eV View
- 13 -23.75 eV View
- 14 -21.37 eV View
- 15 -20.49 eV View
- 16 -18.22 eV View
- 17 -17.16 eV View
- 18 -15.81 eV View
- 19 -15.52 eV View
- 20 -15.25 eV View
- 21 -14.58 eV View
- 22 -14.19 eV View
- 23 -14.01 eV View
- 24 -13.59 eV View
- 25 -12.79 eV View
- 26 -12.25 eV View
- 27 -11.93 eV View
- 28 -11.81 eV View
- 29 -11.60 eV View
- 30 -10.69 eV View
- 31 -10.20 eV View
- 32 -10.10 eV View
- 33 15.02 eV View
- 34 15.72 eV View
- 35 16.04 eV View
- 36 16.53 eV View
- 37 16.82 eV View
- 38 17.56 eV View
- 39 17.67 eV View
- 40 17.94 eV View
- 41 18.64 eV View
- 42 18.98 eV View
- 43 19.35 eV View
- 44 19.54 eV View
- 45 20.33 eV View
- 46 20.82 eV View
- 47 20.93 eV View
- 48 21.32 eV View
- 49 21.47 eV View
- 50 21.53 eV View
- 51 22.31 eV View
- 52 22.40 eV View
- 53 22.69 eV View
- 54 22.85 eV View
- 55 22.88 eV View
- 56 23.89 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 130.65 cm-1 View
- 2 158.71 cm-1 View
- 3 208.27 cm-1 View
- 4 270.58 cm-1 View
- 5 339.82 cm-1 View
- 6 355.56 cm-1 View
- 7 373.24 cm-1 View
- 8 419.14 cm-1 View
- 9 439.02 cm-1 View
- 10 520.08 cm-1 View
- 11 566.79 cm-1 View
- 12 725.39 cm-1 View
- 13 841.27 cm-1 View
- 14 863.19 cm-1 View
- 15 876.09 cm-1 View
- 16 904.56 cm-1 View
- 17 922.38 cm-1 View
- 18 940.63 cm-1 View
- 19 977.67 cm-1 View
- 20 995.34 cm-1 View
- 21 1008.99 cm-1 View
- 22 1020.79 cm-1 View
- 23 1039.41 cm-1 View
- 24 1067.63 cm-1 View
- 25 1072.05 cm-1 View
- 26 1104.44 cm-1 View
- 27 1111.03 cm-1 View
- 28 1112.94 cm-1 View
- 29 1132.97 cm-1 View
- 30 1157.73 cm-1 View
- 31 1171.88 cm-1 View
- 32 1178.43 cm-1 View
- 33 1257.51 cm-1 View
- 34 1276.35 cm-1 View
- 35 1297.14 cm-1 View
- 36 1322.23 cm-1 View
- 37 1329.29 cm-1 View
- 38 1350.82 cm-1 View
- 39 1363.72 cm-1 View
- 40 1379.11 cm-1 View
- 41 1397.15 cm-1 View
- 42 1402.17 cm-1 View
- 43 1404.16 cm-1 View
- 44 1409.51 cm-1 View
- 45 1410.02 cm-1 View
- 46 1412.56 cm-1 View
- 47 1414.71 cm-1 View
- 48 1415.33 cm-1 View
- 49 1421.93 cm-1 View
- 50 1496.03 cm-1 View
- 51 2854.83 cm-1 View
- 52 2855.77 cm-1 View
- 53 2946.48 cm-1 View
- 54 2947.46 cm-1 View
- 55 2953.72 cm-1 View
- 56 2959.68 cm-1 View
- 57 3022.68 cm-1 View
- 58 3028.53 cm-1 View
- 59 3031.63 cm-1 View
- 60 3038.21 cm-1 View
- 61 3054.77 cm-1 View
- 62 3081.03 cm-1 View
- 63 3081.27 cm-1 View
- 64 3081.54 cm-1 View
- 65 3168.59 cm-1 View
- 66 3182.23 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 21.97 | kJ mol-1 |
| Polar Solvation Energy | -0.69 | kJ mol-1 |
| Nonpolar Solvation Energy | 22.70 | kJ mol-1 |
| Surface Area | 105.13 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.05 | Debye |