2,2,4-trimethylpentane
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 | 661.86 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 671.77 | 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 | 140.35 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 173.61 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.83 | J mol-1 K-1 |
| Rotational | 119.59 | J mol-1 K-1 |
| Vibrational | 117.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 405.15 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -196.96 | kJ mol-1 |
Molecular Orbitals
- 1 -300.75 eV View
- 2 -300.58 eV View
- 3 -300.18 eV View
- 4 -300.06 eV View
- 5 -300.05 eV View
- 6 -300.02 eV View
- 7 -300.00 eV View
- 8 -300.00 eV View
- 9 -29.30 eV View
- 10 -27.74 eV View
- 11 -24.47 eV View
- 12 -24.33 eV View
- 13 -23.87 eV View
- 14 -23.85 eV View
- 15 -20.17 eV View
- 16 -18.55 eV View
- 17 -16.59 eV View
- 18 -16.03 eV View
- 19 -15.58 eV View
- 20 -14.95 eV View
- 21 -14.74 eV View
- 22 -14.66 eV View
- 23 -14.24 eV View
- 24 -13.49 eV View
- 25 -13.25 eV View
- 26 -12.87 eV View
- 27 -12.64 eV View
- 28 -12.41 eV View
- 29 -11.71 eV View
- 30 -11.54 eV View
- 31 -11.04 eV View
- 32 -10.75 eV View
- 33 -10.17 eV View
- 34 15.23 eV View
- 35 15.69 eV View
- 36 15.90 eV View
- 37 16.18 eV View
- 38 17.32 eV View
- 39 17.44 eV View
- 40 17.80 eV View
- 41 17.86 eV View
- 42 18.94 eV View
- 43 19.56 eV View
- 44 19.59 eV View
- 45 20.02 eV View
- 46 20.09 eV View
- 47 20.29 eV View
- 48 20.55 eV View
- 49 20.67 eV View
- 50 20.81 eV View
- 51 21.46 eV View
- 52 21.64 eV View
- 53 21.71 eV View
- 54 22.02 eV View
- 55 22.54 eV View
- 56 22.97 eV View
- 57 23.64 eV View
- 58 23.98 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 23.52 cm-1 View
- 2 119.80 cm-1 View
- 3 201.98 cm-1 View
- 4 209.19 cm-1 View
- 5 232.33 cm-1 View
- 6 245.60 cm-1 View
- 7 290.09 cm-1 View
- 8 296.90 cm-1 View
- 9 362.26 cm-1 View
- 10 405.78 cm-1 View
- 11 428.62 cm-1 View
- 12 457.82 cm-1 View
- 13 458.86 cm-1 View
- 14 493.65 cm-1 View
- 15 552.24 cm-1 View
- 16 676.43 cm-1 View
- 17 825.46 cm-1 View
- 18 880.59 cm-1 View
- 19 930.02 cm-1 View
- 20 953.67 cm-1 View
- 21 958.31 cm-1 View
- 22 965.47 cm-1 View
- 23 965.90 cm-1 View
- 24 975.89 cm-1 View
- 25 990.96 cm-1 View
- 26 1000.12 cm-1 View
- 27 1014.34 cm-1 View
- 28 1028.69 cm-1 View
- 29 1084.18 cm-1 View
- 30 1107.45 cm-1 View
- 31 1148.36 cm-1 View
- 32 1154.53 cm-1 View
- 33 1242.67 cm-1 View
- 34 1301.85 cm-1 View
- 35 1313.62 cm-1 View
- 36 1316.66 cm-1 View
- 37 1319.63 cm-1 View
- 38 1366.84 cm-1 View
- 39 1388.28 cm-1 View
- 40 1397.53 cm-1 View
- 41 1398.63 cm-1 View
- 42 1399.52 cm-1 View
- 43 1401.68 cm-1 View
- 44 1403.53 cm-1 View
- 45 1408.32 cm-1 View
- 46 1408.59 cm-1 View
- 47 1409.00 cm-1 View
- 48 1411.59 cm-1 View
- 49 1412.53 cm-1 View
- 50 1413.25 cm-1 View
- 51 1419.19 cm-1 View
- 52 1421.77 cm-1 View
- 53 1537.66 cm-1 View
- 54 1538.14 cm-1 View
- 55 2834.07 cm-1 View
- 56 2924.78 cm-1 View
- 57 2997.67 cm-1 View
- 58 3058.07 cm-1 View
- 59 3058.32 cm-1 View
- 60 3072.45 cm-1 View
- 61 3073.42 cm-1 View
- 62 3077.81 cm-1 View
- 63 3078.43 cm-1 View
- 64 3079.99 cm-1 View
- 65 3081.35 cm-1 View
- 66 3081.72 cm-1 View
- 67 3082.66 cm-1 View
- 68 3166.66 cm-1 View
- 69 3167.60 cm-1 View
- 70 3174.11 cm-1 View
- 71 3175.45 cm-1 View
- 72 3177.69 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 17.37 | kJ mol-1 |
| Polar Solvation Energy | -0.66 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.02 | kJ mol-1 |
| Surface Area | 110.60 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.05 | Debye |