2-methylpentane methanol
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 | 578.73 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 588.64 | 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 | 151.10 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 184.36 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.04 | J mol-1 K-1 |
| Rotational | 124.11 | J mol-1 K-1 |
| Vibrational | 170.65 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 462.79 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -14.18 | kJ mol-1 |
Molecular Orbitals
- 1 -550.06 eV View
- 2 -301.11 eV View
- 3 -301.01 eV View
- 4 -300.57 eV View
- 5 -300.54 eV View
- 6 -300.53 eV View
- 7 -299.75 eV View
- 8 -299.26 eV View
- 9 -34.25 eV View
- 10 -29.41 eV View
- 11 -27.52 eV View
- 12 -24.61 eV View
- 13 -23.96 eV View
- 14 -22.55 eV View
- 15 -21.77 eV View
- 16 -18.30 eV View
- 17 -16.53 eV View
- 18 -16.43 eV View
- 19 -15.93 eV View
- 20 -15.67 eV View
- 21 -15.07 eV View
- 22 -14.35 eV View
- 23 -14.04 eV View
- 24 -14.03 eV View
- 25 -13.41 eV View
- 26 -13.13 eV View
- 27 -12.89 eV View
- 28 -12.61 eV View
- 29 -12.45 eV View
- 30 -11.28 eV View
- 31 -10.46 eV View
- 32 -9.00 eV View
- 33 -6.27 eV View
- 34 6.36 eV View
- 35 15.53 eV View
- 36 16.05 eV View
- 37 16.45 eV View
- 38 16.82 eV View
- 39 17.43 eV View
- 40 17.79 eV View
- 41 18.37 eV View
- 42 18.99 eV View
- 43 19.06 eV View
- 44 19.18 eV View
- 45 19.98 eV View
- 46 20.13 eV View
- 47 20.29 eV View
- 48 20.37 eV View
- 49 20.48 eV View
- 50 20.81 eV View
- 51 21.07 eV View
- 52 21.57 eV View
- 53 21.96 eV View
- 54 22.86 eV View
- 55 23.48 eV View
- 56 24.83 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 17.97 cm-1 View
- 2 32.09 cm-1 View
- 3 43.10 cm-1 View
- 4 77.89 cm-1 View
- 5 98.29 cm-1 View
- 6 115.22 cm-1 View
- 7 140.11 cm-1 View
- 8 182.89 cm-1 View
- 9 186.37 cm-1 View
- 10 207.34 cm-1 View
- 11 253.70 cm-1 View
- 12 274.32 cm-1 View
- 13 327.88 cm-1 View
- 14 365.49 cm-1 View
- 15 425.84 cm-1 View
- 16 464.96 cm-1 View
- 17 531.48 cm-1 View
- 18 620.33 cm-1 View
- 19 847.42 cm-1 View
- 20 919.83 cm-1 View
- 21 931.33 cm-1 View
- 22 950.86 cm-1 View
- 23 969.80 cm-1 View
- 24 980.36 cm-1 View
- 25 1007.64 cm-1 View
- 26 1034.19 cm-1 View
- 27 1053.46 cm-1 View
- 28 1092.46 cm-1 View
- 29 1095.62 cm-1 View
- 30 1111.41 cm-1 View
- 31 1117.15 cm-1 View
- 32 1139.34 cm-1 View
- 33 1169.02 cm-1 View
- 34 1268.00 cm-1 View
- 35 1319.38 cm-1 View
- 36 1334.61 cm-1 View
- 37 1354.23 cm-1 View
- 38 1360.21 cm-1 View
- 39 1368.24 cm-1 View
- 40 1390.55 cm-1 View
- 41 1393.05 cm-1 View
- 42 1395.68 cm-1 View
- 43 1398.65 cm-1 View
- 44 1401.25 cm-1 View
- 45 1404.50 cm-1 View
- 46 1405.18 cm-1 View
- 47 1407.88 cm-1 View
- 48 1410.26 cm-1 View
- 49 1413.64 cm-1 View
- 50 1538.01 cm-1 View
- 51 2581.00 cm-1 View
- 52 2811.79 cm-1 View
- 53 2892.60 cm-1 View
- 54 2977.53 cm-1 View
- 55 3034.98 cm-1 View
- 56 3060.79 cm-1 View
- 57 3071.71 cm-1 View
- 58 3073.22 cm-1 View
- 59 3081.33 cm-1 View
- 60 3082.64 cm-1 View
- 61 3082.78 cm-1 View
- 62 3112.36 cm-1 View
- 63 3166.66 cm-1 View
- 64 3169.29 cm-1 View
- 65 3176.50 cm-1 View
- 66 3862.17 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 7.32 | kJ mol-1 |
| Polar Solvation Energy | -18.62 | kJ mol-1 |
| Nonpolar Solvation Energy | 25.96 | kJ mol-1 |
| Surface Area | 131.09 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.69 | Debye |