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 | 349.83 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 359.75 | 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 | 57.36 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 90.62 | 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 | 46.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 308.75 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -119.24 | 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 -16.13 eV View
- 10 -16.03 eV View
- 11 -14.85 eV View
- 12 -13.66 eV View
- 13 -13.51 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 17.33 eV View
- 21 18.24 eV View
- 22 19.07 eV View
- 23 19.63 eV View
- 24 19.69 eV View
- 25 20.55 eV View
- 26 21.16 eV View
- 27 21.27 eV View
- 28 21.83 eV View
- 29 22.07 eV View
- 30 22.35 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 100.85 cm-1 View
- 2 182.65 cm-1 View
- 3 192.52 cm-1 View
- 4 352.96 cm-1 View
- 5 460.52 cm-1 View
- 6 812.15 cm-1 View
- 7 834.42 cm-1 View
- 8 911.04 cm-1 View
- 9 978.99 cm-1 View
- 10 1017.32 cm-1 View
- 11 1029.69 cm-1 View
- 12 1115.08 cm-1 View
- 13 1119.93 cm-1 View
- 14 1151.22 cm-1 View
- 15 1153.65 cm-1 View
- 16 1172.81 cm-1 View
- 17 1292.39 cm-1 View
- 18 1346.70 cm-1 View
- 19 1390.79 cm-1 View
- 20 1407.36 cm-1 View
- 21 1407.48 cm-1 View
- 22 1411.20 cm-1 View
- 23 1412.54 cm-1 View
- 24 1413.19 cm-1 View
- 25 1426.64 cm-1 View
- 26 1426.66 cm-1 View
- 27 2952.00 cm-1 View
- 28 2955.38 cm-1 View
- 29 3032.58 cm-1 View
- 30 3035.90 cm-1 View
- 31 3073.16 cm-1 View
- 32 3077.27 cm-1 View
- 33 3083.35 cm-1 View
- 34 3083.47 cm-1 View
- 35 3178.89 cm-1 View
- 36 3180.91 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 13.25 | kJ mol-1 |
| Polar Solvation Energy | -0.57 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.84 | kJ mol-1 |
| Surface Area | 86.43 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.01 | Debye |