Butane
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 | 349.85 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 359.76 | 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 | 57.36 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 90.61 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.40 | J mol-1 K-1 |
| Rotational | 102.93 | J mol-1 K-1 |
| Vibrational | 46.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 308.76 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -119.27 | kJ mol-1 |
Molecular Orbitals
- 1 -300.40 eV View
- 2 -300.39 eV View
- 3 -300.18 eV View
- 4 -300.18 eV View
- 5 -28.17 eV View
- 6 -25.56 eV View
- 7 -22.67 eV View
- 8 -20.20 eV View
- 9 -16.14 eV View
- 10 -16.03 eV View
- 11 -14.86 eV View
- 12 -13.67 eV View
- 13 -13.50 eV View
- 14 -12.85 eV View
- 15 -11.65 eV View
- 16 -11.39 eV View
- 17 -11.37 eV View
- 18 16.21 eV View
- 19 16.35 eV View
- 20 17.34 eV View
- 21 18.24 eV View
- 22 19.07 eV View
- 23 19.62 eV View
- 24 19.69 eV View
- 25 20.55 eV View
- 26 21.15 eV View
- 27 21.28 eV View
- 28 21.83 eV View
- 29 22.07 eV View
- 30 22.36 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 100.61 cm-1 View
- 2 182.58 cm-1 View
- 3 192.53 cm-1 View
- 4 353.76 cm-1 View
- 5 460.29 cm-1 View
- 6 812.44 cm-1 View
- 7 833.96 cm-1 View
- 8 911.08 cm-1 View
- 9 979.13 cm-1 View
- 10 1017.23 cm-1 View
- 11 1029.76 cm-1 View
- 12 1115.09 cm-1 View
- 13 1119.78 cm-1 View
- 14 1151.18 cm-1 View
- 15 1153.74 cm-1 View
- 16 1173.00 cm-1 View
- 17 1292.34 cm-1 View
- 18 1346.73 cm-1 View
- 19 1390.78 cm-1 View
- 20 1407.27 cm-1 View
- 21 1407.58 cm-1 View
- 22 1411.26 cm-1 View
- 23 1412.63 cm-1 View
- 24 1413.26 cm-1 View
- 25 1426.62 cm-1 View
- 26 1426.77 cm-1 View
- 27 2952.09 cm-1 View
- 28 2955.42 cm-1 View
- 29 3032.64 cm-1 View
- 30 3035.90 cm-1 View
- 31 3073.43 cm-1 View
- 32 3077.48 cm-1 View
- 33 3083.41 cm-1 View
- 34 3083.81 cm-1 View
- 35 3179.20 cm-1 View
- 36 3181.20 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 14.38 | kJ mol-1 |
| Polar Solvation Energy | -0.58 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.92 | kJ mol-1 |
| Surface Area | 80.83 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |