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 | 661.90 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 671.82 | 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 | 142.11 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 175.37 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.83 | J mol-1 K-1 |
| Rotational | 120.23 | J mol-1 K-1 |
| Vibrational | 113.53 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 401.59 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -211.20 | kJ mol-1 |
Molecular Orbitals
- 1 -300.73 eV View
- 2 -300.49 eV View
- 3 -300.12 eV View
- 4 -300.09 eV View
- 5 -300.04 eV View
- 6 -300.04 eV View
- 7 -300.04 eV View
- 8 -300.03 eV View
- 9 -29.34 eV View
- 10 -27.75 eV View
- 11 -24.39 eV View
- 12 -24.21 eV View
- 13 -23.96 eV View
- 14 -23.86 eV View
- 15 -20.10 eV View
- 16 -18.76 eV View
- 17 -16.61 eV View
- 18 -15.91 eV View
- 19 -15.71 eV View
- 20 -15.08 eV View
- 21 -14.67 eV View
- 22 -14.55 eV View
- 23 -13.71 eV View
- 24 -13.63 eV View
- 25 -13.43 eV View
- 26 -13.01 eV View
- 27 -12.78 eV View
- 28 -12.40 eV View
- 29 -11.67 eV View
- 30 -11.50 eV View
- 31 -11.00 eV View
- 32 -10.71 eV View
- 33 -10.35 eV View
- 34 15.02 eV View
- 35 15.80 eV View
- 36 16.11 eV View
- 37 16.62 eV View
- 38 16.83 eV View
- 39 17.75 eV View
- 40 17.85 eV View
- 41 18.64 eV View
- 42 19.17 eV View
- 43 19.41 eV View
- 44 19.47 eV View
- 45 19.64 eV View
- 46 20.03 eV View
- 47 20.33 eV View
- 48 20.58 eV View
- 49 20.67 eV View
- 50 20.76 eV View
- 51 21.09 eV View
- 52 21.49 eV View
- 53 21.60 eV View
- 54 22.15 eV View
- 55 22.53 eV View
- 56 22.73 eV View
- 57 23.68 eV View
- 58 23.86 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 67.32 cm-1 View
- 2 123.92 cm-1 View
- 3 191.20 cm-1 View
- 4 204.10 cm-1 View
- 5 220.90 cm-1 View
- 6 227.50 cm-1 View
- 7 268.45 cm-1 View
- 8 294.58 cm-1 View
- 9 325.63 cm-1 View
- 10 368.51 cm-1 View
- 11 399.86 cm-1 View
- 12 446.95 cm-1 View
- 13 462.72 cm-1 View
- 14 490.55 cm-1 View
- 15 502.77 cm-1 View
- 16 580.85 cm-1 View
- 17 868.61 cm-1 View
- 18 885.97 cm-1 View
- 19 939.16 cm-1 View
- 20 963.99 cm-1 View
- 21 966.13 cm-1 View
- 22 968.43 cm-1 View
- 23 977.68 cm-1 View
- 24 979.82 cm-1 View
- 25 994.55 cm-1 View
- 26 1007.98 cm-1 View
- 27 1012.56 cm-1 View
- 28 1035.89 cm-1 View
- 29 1092.02 cm-1 View
- 30 1128.23 cm-1 View
- 31 1161.24 cm-1 View
- 32 1207.48 cm-1 View
- 33 1257.72 cm-1 View
- 34 1298.54 cm-1 View
- 35 1313.77 cm-1 View
- 36 1317.35 cm-1 View
- 37 1328.59 cm-1 View
- 38 1379.28 cm-1 View
- 39 1397.63 cm-1 View
- 40 1399.49 cm-1 View
- 41 1401.14 cm-1 View
- 42 1401.85 cm-1 View
- 43 1404.24 cm-1 View
- 44 1405.06 cm-1 View
- 45 1406.77 cm-1 View
- 46 1407.61 cm-1 View
- 47 1410.05 cm-1 View
- 48 1414.13 cm-1 View
- 49 1415.49 cm-1 View
- 50 1416.78 cm-1 View
- 51 1417.88 cm-1 View
- 52 1418.65 cm-1 View
- 53 1481.77 cm-1 View
- 54 1504.75 cm-1 View
- 55 2837.57 cm-1 View
- 56 2938.68 cm-1 View
- 57 3018.24 cm-1 View
- 58 3054.15 cm-1 View
- 59 3058.58 cm-1 View
- 60 3072.73 cm-1 View
- 61 3078.82 cm-1 View
- 62 3078.89 cm-1 View
- 63 3079.40 cm-1 View
- 64 3079.98 cm-1 View
- 65 3080.87 cm-1 View
- 66 3081.01 cm-1 View
- 67 3082.34 cm-1 View
- 68 3165.51 cm-1 View
- 69 3166.63 cm-1 View
- 70 3173.35 cm-1 View
- 71 3176.53 cm-1 View
- 72 3178.82 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 21.79 | kJ mol-1 |
| Polar Solvation Energy | -0.59 | kJ mol-1 |
| Nonpolar Solvation Energy | 22.36 | kJ mol-1 |
| Surface Area | 118.54 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.09 | Debye |