Butan-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 | 363.83 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 373.75 | 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 | 73.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 106.69 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.44 | J mol-1 K-1 |
| Rotational | 108.72 | J mol-1 K-1 |
| Vibrational | 68.24 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 339.40 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -280.05 | kJ mol-1 |
Molecular Orbitals
- 1 -550.92 eV View
- 2 -301.70 eV View
- 3 -300.44 eV View
- 4 -300.37 eV View
- 5 -300.15 eV View
- 6 -35.13 eV View
- 7 -27.95 eV View
- 8 -25.27 eV View
- 9 -22.06 eV View
- 10 -20.38 eV View
- 11 -17.25 eV View
- 12 -16.04 eV View
- 13 -15.67 eV View
- 14 -14.89 eV View
- 15 -13.56 eV View
- 16 -13.24 eV View
- 17 -12.18 eV View
- 18 -11.86 eV View
- 19 -11.54 eV View
- 20 -10.78 eV View
- 21 -9.41 eV View
- 22 15.35 eV View
- 23 16.18 eV View
- 24 16.88 eV View
- 25 17.72 eV View
- 26 18.35 eV View
- 27 19.16 eV View
- 28 19.35 eV View
- 29 20.06 eV View
- 30 20.47 eV View
- 31 20.92 eV View
- 32 21.23 eV View
- 33 21.32 eV View
- 34 21.84 eV View
- 35 22.36 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 78.86 cm-1 View
- 2 99.25 cm-1 View
- 3 184.20 cm-1 View
- 4 197.27 cm-1 View
- 5 290.60 cm-1 View
- 6 369.35 cm-1 View
- 7 519.85 cm-1 View
- 8 785.44 cm-1 View
- 9 882.41 cm-1 View
- 10 900.36 cm-1 View
- 11 965.70 cm-1 View
- 12 1012.35 cm-1 View
- 13 1051.26 cm-1 View
- 14 1091.37 cm-1 View
- 15 1114.65 cm-1 View
- 16 1129.37 cm-1 View
- 17 1137.47 cm-1 View
- 18 1152.76 cm-1 View
- 19 1172.35 cm-1 View
- 20 1255.64 cm-1 View
- 21 1286.49 cm-1 View
- 22 1359.12 cm-1 View
- 23 1373.89 cm-1 View
- 24 1387.24 cm-1 View
- 25 1409.43 cm-1 View
- 26 1411.55 cm-1 View
- 27 1413.99 cm-1 View
- 28 1417.71 cm-1 View
- 29 1435.50 cm-1 View
- 30 2911.18 cm-1 View
- 31 2948.52 cm-1 View
- 32 2961.54 cm-1 View
- 33 2971.48 cm-1 View
- 34 3032.80 cm-1 View
- 35 3036.33 cm-1 View
- 36 3078.33 cm-1 View
- 37 3084.54 cm-1 View
- 38 3181.55 cm-1 View
- 39 3908.85 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 6.81 | kJ mol-1 |
| Polar Solvation Energy | -10.28 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.10 | kJ mol-1 |
| Surface Area | 91.17 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.65 | Debye |