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 | 364.01 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 373.92 | 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 | 73.69 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 106.95 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.44 | J mol-1 K-1 |
| Rotational | 108.40 | J mol-1 K-1 |
| Vibrational | 68.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 339.70 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -282.44 | kJ mol-1 |
Molecular Orbitals
- 1 -550.91 eV View
- 2 -301.70 eV View
- 3 -300.51 eV View
- 4 -300.44 eV View
- 5 -300.23 eV View
- 6 -35.12 eV View
- 7 -28.07 eV View
- 8 -25.26 eV View
- 9 -21.98 eV View
- 10 -20.61 eV View
- 11 -16.91 eV View
- 12 -16.71 eV View
- 13 -15.29 eV View
- 14 -14.84 eV View
- 15 -14.14 eV View
- 16 -13.04 eV View
- 17 -12.28 eV View
- 18 -11.66 eV View
- 19 -11.60 eV View
- 20 -10.88 eV View
- 21 -9.46 eV View
- 22 15.41 eV View
- 23 15.87 eV View
- 24 17.19 eV View
- 25 17.98 eV View
- 26 18.06 eV View
- 27 18.69 eV View
- 28 19.58 eV View
- 29 20.11 eV View
- 30 20.31 eV View
- 31 20.77 eV View
- 32 21.11 eV View
- 33 21.44 eV View
- 34 21.81 eV View
- 35 22.18 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 85.73 cm-1 View
- 2 95.73 cm-1 View
- 3 196.91 cm-1 View
- 4 200.62 cm-1 View
- 5 223.38 cm-1 View
- 6 425.05 cm-1 View
- 7 463.21 cm-1 View
- 8 768.40 cm-1 View
- 9 844.06 cm-1 View
- 10 948.39 cm-1 View
- 11 955.34 cm-1 View
- 12 1040.32 cm-1 View
- 13 1080.67 cm-1 View
- 14 1110.56 cm-1 View
- 15 1119.53 cm-1 View
- 16 1135.51 cm-1 View
- 17 1147.34 cm-1 View
- 18 1153.90 cm-1 View
- 19 1154.31 cm-1 View
- 20 1227.63 cm-1 View
- 21 1296.66 cm-1 View
- 22 1355.61 cm-1 View
- 23 1379.66 cm-1 View
- 24 1388.71 cm-1 View
- 25 1408.27 cm-1 View
- 26 1411.30 cm-1 View
- 27 1417.66 cm-1 View
- 28 1422.76 cm-1 View
- 29 1437.09 cm-1 View
- 30 2908.11 cm-1 View
- 31 2947.99 cm-1 View
- 32 2962.76 cm-1 View
- 33 2968.87 cm-1 View
- 34 3032.23 cm-1 View
- 35 3040.63 cm-1 View
- 36 3079.11 cm-1 View
- 37 3084.77 cm-1 View
- 38 3181.48 cm-1 View
- 39 3908.75 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 4.69 | kJ mol-1 |
| Polar Solvation Energy | -10.92 | kJ mol-1 |
| Nonpolar Solvation Energy | 15.59 | kJ mol-1 |
| Surface Area | 90.85 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.68 | Debye |