2-methylpropylbenzene
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 | 572.72 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 582.63 | 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 | 135.95 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 169.21 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.84 | J mol-1 K-1 |
| Rotational | 124.31 | J mol-1 K-1 |
| Vibrational | 121.56 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 415.71 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -4.94 | kJ mol-1 |
Molecular Orbitals
- 1 -300.71 eV View
- 2 -300.46 eV View
- 3 -300.17 eV View
- 4 -300.16 eV View
- 5 -300.14 eV View
- 6 -300.03 eV View
- 7 -300.02 eV View
- 8 -299.94 eV View
- 9 -299.89 eV View
- 10 -299.89 eV View
- 11 -29.90 eV View
- 12 -28.54 eV View
- 13 -26.39 eV View
- 14 -25.91 eV View
- 15 -24.22 eV View
- 16 -23.72 eV View
- 17 -20.92 eV View
- 18 -20.44 eV View
- 19 -19.65 eV View
- 20 -17.57 eV View
- 21 -16.32 eV View
- 22 -15.84 eV View
- 23 -15.42 eV View
- 24 -15.33 eV View
- 25 -14.64 eV View
- 26 -14.39 eV View
- 27 -13.71 eV View
- 28 -13.54 eV View
- 29 -12.98 eV View
- 30 -12.63 eV View
- 31 -12.11 eV View
- 32 -11.72 eV View
- 33 -11.46 eV View
- 34 -11.32 eV View
- 35 -10.91 eV View
- 36 -7.58 eV View
- 37 -7.22 eV View
- 38 7.35 eV View
- 39 7.44 eV View
- 40 13.59 eV View
- 41 15.51 eV View
- 42 15.83 eV View
- 43 16.79 eV View
- 44 17.00 eV View
- 45 17.41 eV View
- 46 18.05 eV View
- 47 18.86 eV View
- 48 19.15 eV View
- 49 19.28 eV View
- 50 19.68 eV View
- 51 19.94 eV View
- 52 20.26 eV View
- 53 20.53 eV View
- 54 20.76 eV View
- 55 20.89 eV View
- 56 21.52 eV View
- 57 21.65 eV View
- 58 22.11 eV View
- 59 24.15 eV View
- 60 24.25 eV View
- 61 24.74 eV View
- 62 25.29 eV View
- 63 30.09 eV View
- 64 31.42 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 18.21 | kJ mol-1 |
| Polar Solvation Energy | -5.06 | kJ mol-1 |
| Nonpolar Solvation Energy | 23.28 | kJ mol-1 |
| Surface Area | 125.92 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.26 | Debye |