1-fluorobutane
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 | 331.72 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 341.64 | 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 | 64.54 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 97.80 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.77 | J mol-1 K-1 |
| Rotational | 109.00 | J mol-1 K-1 |
| Vibrational | 58.36 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 330.12 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -294.61 | kJ mol-1 |
Molecular Orbitals
- 1 -705.01 eV View
- 2 -302.31 eV View
- 3 -300.71 eV View
- 4 -300.68 eV View
- 5 -300.39 eV View
- 6 -40.36 eV View
- 7 -28.34 eV View
- 8 -25.40 eV View
- 9 -22.62 eV View
- 10 -20.61 eV View
- 11 -17.16 eV View
- 12 -16.26 eV View
- 13 -15.82 eV View
- 14 -14.93 eV View
- 15 -14.17 eV View
- 16 -13.89 eV View
- 17 -12.50 eV View
- 18 -12.17 eV View
- 19 -11.97 eV View
- 20 -10.78 eV View
- 21 -10.48 eV View
- 22 15.43 eV View
- 23 15.95 eV View
- 24 16.36 eV View
- 25 17.75 eV View
- 26 18.38 eV View
- 27 19.10 eV View
- 28 19.15 eV View
- 29 20.29 eV View
- 30 20.42 eV View
- 31 20.94 eV View
- 32 21.33 eV View
- 33 21.71 eV View
- 34 22.00 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 76.94 cm-1 View
- 2 102.85 cm-1 View
- 3 181.60 cm-1 View
- 4 312.23 cm-1 View
- 5 385.38 cm-1 View
- 6 513.17 cm-1 View
- 7 793.72 cm-1 View
- 8 821.77 cm-1 View
- 9 954.91 cm-1 View
- 10 973.71 cm-1 View
- 11 1001.89 cm-1 View
- 12 1051.26 cm-1 View
- 13 1106.83 cm-1 View
- 14 1117.13 cm-1 View
- 15 1135.55 cm-1 View
- 16 1147.06 cm-1 View
- 17 1170.52 cm-1 View
- 18 1171.81 cm-1 View
- 19 1287.14 cm-1 View
- 20 1339.71 cm-1 View
- 21 1368.54 cm-1 View
- 22 1398.75 cm-1 View
- 23 1407.28 cm-1 View
- 24 1410.65 cm-1 View
- 25 1412.87 cm-1 View
- 26 1426.70 cm-1 View
- 27 1521.79 cm-1 View
- 28 2952.83 cm-1 View
- 29 2957.86 cm-1 View
- 30 2970.46 cm-1 View
- 31 3014.21 cm-1 View
- 32 3034.54 cm-1 View
- 33 3043.75 cm-1 View
- 34 3075.22 cm-1 View
- 35 3083.55 cm-1 View
- 36 3179.98 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |