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 | 364.96 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 374.87 | 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 | 72.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 105.77 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.44 | J mol-1 K-1 |
| Rotational | 108.46 | J mol-1 K-1 |
| Vibrational | 64.45 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 335.35 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -290.28 | kJ mol-1 |
Molecular Orbitals
- 1 -550.90 eV View
- 2 -301.71 eV View
- 3 -300.63 eV View
- 4 -300.58 eV View
- 5 -300.33 eV View
- 6 -35.16 eV View
- 7 -28.19 eV View
- 8 -25.32 eV View
- 9 -22.14 eV View
- 10 -20.83 eV View
- 11 -17.32 eV View
- 12 -16.10 eV View
- 13 -15.52 eV View
- 14 -14.89 eV View
- 15 -13.76 eV View
- 16 -13.35 eV View
- 17 -12.79 eV View
- 18 -12.12 eV View
- 19 -11.80 eV View
- 20 -10.64 eV View
- 21 -9.31 eV View
- 22 15.53 eV View
- 23 15.65 eV View
- 24 16.85 eV View
- 25 17.72 eV View
- 26 18.06 eV View
- 27 18.96 eV View
- 28 19.47 eV View
- 29 19.94 eV View
- 30 20.36 eV View
- 31 20.60 eV View
- 32 21.05 eV View
- 33 21.41 eV View
- 34 21.67 eV View
- 35 22.28 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 90.43 cm-1 View
- 2 97.36 cm-1 View
- 3 197.80 cm-1 View
- 4 223.03 cm-1 View
- 5 329.83 cm-1 View
- 6 424.47 cm-1 View
- 7 479.54 cm-1 View
- 8 769.31 cm-1 View
- 9 841.25 cm-1 View
- 10 945.75 cm-1 View
- 11 958.50 cm-1 View
- 12 1025.69 cm-1 View
- 13 1092.85 cm-1 View
- 14 1114.33 cm-1 View
- 15 1117.14 cm-1 View
- 16 1135.12 cm-1 View
- 17 1146.62 cm-1 View
- 18 1149.04 cm-1 View
- 19 1163.00 cm-1 View
- 20 1233.71 cm-1 View
- 21 1332.64 cm-1 View
- 22 1369.37 cm-1 View
- 23 1379.12 cm-1 View
- 24 1389.67 cm-1 View
- 25 1408.53 cm-1 View
- 26 1408.71 cm-1 View
- 27 1411.48 cm-1 View
- 28 1420.98 cm-1 View
- 29 1433.89 cm-1 View
- 30 2932.70 cm-1 View
- 31 2947.84 cm-1 View
- 32 2959.91 cm-1 View
- 33 3025.85 cm-1 View
- 34 3032.61 cm-1 View
- 35 3035.68 cm-1 View
- 36 3078.85 cm-1 View
- 37 3085.09 cm-1 View
- 38 3181.82 cm-1 View
- 39 3887.39 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 7.13 | kJ mol-1 |
| Polar Solvation Energy | -9.99 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.14 | kJ mol-1 |
| Surface Area | 84.01 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.79 | Debye |