3-methoxy-3-methylbutan-1-ol
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 | 532.69 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 542.60 | 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 | 131.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 164.66 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.25 | J mol-1 K-1 |
| Rotational | 120.36 | J mol-1 K-1 |
| Vibrational | 109.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 398.49 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -454.92 | kJ mol-1 |
Molecular Orbitals
- 1 -551.06 eV View
- 2 -550.99 eV View
- 3 -302.13 eV View
- 4 -301.72 eV View
- 5 -301.69 eV View
- 6 -300.60 eV View
- 7 -300.36 eV View
- 8 -300.26 eV View
- 9 -35.45 eV View
- 10 -35.21 eV View
- 11 -28.29 eV View
- 12 -25.66 eV View
- 13 -24.69 eV View
- 14 -23.65 eV View
- 15 -22.06 eV View
- 16 -19.20 eV View
- 17 -17.39 eV View
- 18 -16.71 eV View
- 19 -16.32 eV View
- 20 -15.97 eV View
- 21 -15.63 eV View
- 22 -14.70 eV View
- 23 -13.99 eV View
- 24 -13.74 eV View
- 25 -13.54 eV View
- 26 -13.37 eV View
- 27 -12.90 eV View
- 28 -12.65 eV View
- 29 -11.72 eV View
- 30 -10.73 eV View
- 31 -9.96 eV View
- 32 -9.54 eV View
- 33 -8.69 eV View
- 34 13.85 eV View
- 35 15.29 eV View
- 36 15.54 eV View
- 37 16.52 eV View
- 38 17.35 eV View
- 39 17.49 eV View
- 40 17.91 eV View
- 41 18.10 eV View
- 42 18.43 eV View
- 43 19.04 eV View
- 44 19.22 eV View
- 45 19.42 eV View
- 46 19.76 eV View
- 47 20.29 eV View
- 48 20.45 eV View
- 49 20.88 eV View
- 50 21.20 eV View
- 51 21.64 eV View
- 52 22.09 eV View
- 53 22.91 eV View
- 54 23.29 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 83.66 cm-1 View
- 2 130.96 cm-1 View
- 3 147.11 cm-1 View
- 4 197.05 cm-1 View
- 5 203.26 cm-1 View
- 6 241.15 cm-1 View
- 7 249.28 cm-1 View
- 8 317.30 cm-1 View
- 9 330.98 cm-1 View
- 10 345.10 cm-1 View
- 11 389.40 cm-1 View
- 12 442.19 cm-1 View
- 13 460.97 cm-1 View
- 14 564.72 cm-1 View
- 15 577.52 cm-1 View
- 16 808.88 cm-1 View
- 17 855.40 cm-1 View
- 18 939.66 cm-1 View
- 19 958.54 cm-1 View
- 20 980.43 cm-1 View
- 21 987.36 cm-1 View
- 22 1019.07 cm-1 View
- 23 1037.62 cm-1 View
- 24 1062.71 cm-1 View
- 25 1100.99 cm-1 View
- 26 1109.63 cm-1 View
- 27 1128.44 cm-1 View
- 28 1162.65 cm-1 View
- 29 1182.77 cm-1 View
- 30 1210.89 cm-1 View
- 31 1295.03 cm-1 View
- 32 1297.46 cm-1 View
- 33 1313.59 cm-1 View
- 34 1354.37 cm-1 View
- 35 1359.61 cm-1 View
- 36 1366.05 cm-1 View
- 37 1375.05 cm-1 View
- 38 1392.75 cm-1 View
- 39 1397.23 cm-1 View
- 40 1402.74 cm-1 View
- 41 1403.65 cm-1 View
- 42 1406.66 cm-1 View
- 43 1408.94 cm-1 View
- 44 1410.13 cm-1 View
- 45 1436.72 cm-1 View
- 46 1443.66 cm-1 View
- 47 2925.69 cm-1 View
- 48 2954.75 cm-1 View
- 49 2978.23 cm-1 View
- 50 3004.89 cm-1 View
- 51 3031.05 cm-1 View
- 52 3051.50 cm-1 View
- 53 3053.52 cm-1 View
- 54 3059.91 cm-1 View
- 55 3088.69 cm-1 View
- 56 3091.09 cm-1 View
- 57 3139.22 cm-1 View
- 58 3167.89 cm-1 View
- 59 3171.90 cm-1 View
- 60 3888.13 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 4.59 | kJ mol-1 |
| Polar Solvation Energy | -16.62 | kJ mol-1 |
| Nonpolar Solvation Energy | 21.19 | kJ mol-1 |
| Surface Area | 109.82 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.59 | Debye |