2,2-dimethylpentane
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 | 582.67 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 592.58 | 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 | 121.91 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 155.17 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.20 | J mol-1 K-1 |
| Rotational | 117.26 | J mol-1 K-1 |
| Vibrational | 95.99 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 379.45 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -189.55 | kJ mol-1 |
Molecular Orbitals
- 1 -300.71 eV View
- 2 -300.30 eV View
- 3 -300.19 eV View
- 4 -300.18 eV View
- 5 -300.04 eV View
- 6 -300.02 eV View
- 7 -300.02 eV View
- 8 -29.25 eV View
- 9 -27.11 eV View
- 10 -24.21 eV View
- 11 -24.19 eV View
- 12 -23.89 eV View
- 13 -20.98 eV View
- 14 -18.74 eV View
- 15 -16.38 eV View
- 16 -16.13 eV View
- 17 -15.41 eV View
- 18 -15.36 eV View
- 19 -14.44 eV View
- 20 -13.91 eV View
- 21 -13.74 eV View
- 22 -12.97 eV View
- 23 -12.90 eV View
- 24 -12.82 eV View
- 25 -12.38 eV View
- 26 -11.67 eV View
- 27 -10.97 eV View
- 28 -10.86 eV View
- 29 -10.54 eV View
- 30 15.56 eV View
- 31 15.64 eV View
- 32 16.19 eV View
- 33 16.53 eV View
- 34 17.85 eV View
- 35 17.94 eV View
- 36 18.70 eV View
- 37 18.96 eV View
- 38 19.41 eV View
- 39 19.86 eV View
- 40 20.04 eV View
- 41 20.41 eV View
- 42 20.43 eV View
- 43 20.72 eV View
- 44 20.74 eV View
- 45 20.91 eV View
- 46 21.39 eV View
- 47 21.93 eV View
- 48 21.99 eV View
- 49 22.51 eV View
- 50 23.20 eV View
- 51 23.38 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 107.84 cm-1 View
- 2 150.79 cm-1 View
- 3 193.91 cm-1 View
- 4 205.50 cm-1 View
- 5 219.64 cm-1 View
- 6 238.22 cm-1 View
- 7 242.71 cm-1 View
- 8 351.10 cm-1 View
- 9 367.67 cm-1 View
- 10 389.72 cm-1 View
- 11 461.12 cm-1 View
- 12 476.28 cm-1 View
- 13 540.79 cm-1 View
- 14 794.95 cm-1 View
- 15 884.27 cm-1 View
- 16 908.49 cm-1 View
- 17 944.64 cm-1 View
- 18 966.84 cm-1 View
- 19 978.10 cm-1 View
- 20 978.43 cm-1 View
- 21 985.49 cm-1 View
- 22 1009.94 cm-1 View
- 23 1024.71 cm-1 View
- 24 1048.41 cm-1 View
- 25 1141.42 cm-1 View
- 26 1145.74 cm-1 View
- 27 1160.95 cm-1 View
- 28 1187.02 cm-1 View
- 29 1242.19 cm-1 View
- 30 1307.86 cm-1 View
- 31 1316.62 cm-1 View
- 32 1318.21 cm-1 View
- 33 1377.88 cm-1 View
- 34 1391.23 cm-1 View
- 35 1400.81 cm-1 View
- 36 1402.43 cm-1 View
- 37 1404.28 cm-1 View
- 38 1407.36 cm-1 View
- 39 1408.06 cm-1 View
- 40 1408.26 cm-1 View
- 41 1410.88 cm-1 View
- 42 1414.86 cm-1 View
- 43 1416.90 cm-1 View
- 44 1418.66 cm-1 View
- 45 1424.01 cm-1 View
- 46 1424.78 cm-1 View
- 47 1441.65 cm-1 View
- 48 2901.40 cm-1 View
- 49 2952.59 cm-1 View
- 50 2987.16 cm-1 View
- 51 3027.64 cm-1 View
- 52 3046.96 cm-1 View
- 53 3048.46 cm-1 View
- 54 3078.11 cm-1 View
- 55 3078.93 cm-1 View
- 56 3081.11 cm-1 View
- 57 3082.41 cm-1 View
- 58 3083.56 cm-1 View
- 59 3084.46 cm-1 View
- 60 3163.20 cm-1 View
- 61 3165.11 cm-1 View
- 62 3176.33 cm-1 View
- 63 3181.06 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 20.39 | kJ mol-1 |
| Polar Solvation Energy | -0.60 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.98 | kJ mol-1 |
| Surface Area | 103.02 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.07 | Debye |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]