3-methylpentane
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 | 503.99 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 513.90 | 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 | 99.03 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 132.28 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.31 | J mol-1 K-1 |
| Rotational | 113.59 | J mol-1 K-1 |
| Vibrational | 82.84 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 360.75 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -163.34 | kJ mol-1 |
Molecular Orbitals
- 1 -300.48 eV View
- 2 -300.31 eV View
- 3 -300.29 eV View
- 4 -300.15 eV View
- 5 -300.12 eV View
- 6 -300.06 eV View
- 7 -28.86 eV View
- 8 -26.61 eV View
- 9 -25.08 eV View
- 10 -23.10 eV View
- 11 -21.19 eV View
- 12 -19.66 eV View
- 13 -16.41 eV View
- 14 -16.21 eV View
- 15 -15.26 eV View
- 16 -14.79 eV View
- 17 -14.09 eV View
- 18 -13.68 eV View
- 19 -13.17 eV View
- 20 -12.86 eV View
- 21 -12.57 eV View
- 22 -11.93 eV View
- 23 -11.30 eV View
- 24 -11.01 eV View
- 25 -10.67 eV View
- 26 15.53 eV View
- 27 15.87 eV View
- 28 16.45 eV View
- 29 17.72 eV View
- 30 17.85 eV View
- 31 18.45 eV View
- 32 18.64 eV View
- 33 19.45 eV View
- 34 19.53 eV View
- 35 19.87 eV View
- 36 20.38 eV View
- 37 20.49 eV View
- 38 21.08 eV View
- 39 21.26 eV View
- 40 21.69 eV View
- 41 21.90 eV View
- 42 22.42 eV View
- 43 22.54 eV View
- 44 23.39 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 76.94 cm-1 View
- 2 131.58 cm-1 View
- 3 188.80 cm-1 View
- 4 196.91 cm-1 View
- 5 229.50 cm-1 View
- 6 262.91 cm-1 View
- 7 375.47 cm-1 View
- 8 414.27 cm-1 View
- 9 485.51 cm-1 View
- 10 495.49 cm-1 View
- 11 823.99 cm-1 View
- 12 836.66 cm-1 View
- 13 886.91 cm-1 View
- 14 954.79 cm-1 View
- 15 983.83 cm-1 View
- 16 1006.48 cm-1 View
- 17 1025.71 cm-1 View
- 18 1045.71 cm-1 View
- 19 1108.64 cm-1 View
- 20 1119.07 cm-1 View
- 21 1132.06 cm-1 View
- 22 1140.92 cm-1 View
- 23 1148.95 cm-1 View
- 24 1160.00 cm-1 View
- 25 1177.47 cm-1 View
- 26 1212.33 cm-1 View
- 27 1305.63 cm-1 View
- 28 1323.85 cm-1 View
- 29 1366.97 cm-1 View
- 30 1394.55 cm-1 View
- 31 1397.79 cm-1 View
- 32 1401.54 cm-1 View
- 33 1407.53 cm-1 View
- 34 1408.35 cm-1 View
- 35 1410.03 cm-1 View
- 36 1411.34 cm-1 View
- 37 1414.41 cm-1 View
- 38 1423.91 cm-1 View
- 39 1428.40 cm-1 View
- 40 1445.03 cm-1 View
- 41 2870.36 cm-1 View
- 42 2947.83 cm-1 View
- 43 2954.06 cm-1 View
- 44 3027.62 cm-1 View
- 45 3031.67 cm-1 View
- 46 3035.10 cm-1 View
- 47 3053.36 cm-1 View
- 48 3074.92 cm-1 View
- 49 3081.16 cm-1 View
- 50 3083.33 cm-1 View
- 51 3087.55 cm-1 View
- 52 3163.51 cm-1 View
- 53 3170.13 cm-1 View
- 54 3180.08 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 14.81 | kJ mol-1 |
| Polar Solvation Energy | -0.78 | kJ mol-1 |
| Nonpolar Solvation Energy | 15.55 | kJ mol-1 |
| Surface Area | 108.50 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.06 | Debye |