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 | 349.84 | 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 | 46.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 308.81 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -119.28 | 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 -13.50 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 17.33 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 21.27 eV View
- 28 21.83 eV View
- 29 22.07 eV View
- 30 22.35 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 100.55 cm-1 View
- 2 181.98 cm-1 View
- 3 192.31 cm-1 View
- 4 353.25 cm-1 View
- 5 460.46 cm-1 View
- 6 812.30 cm-1 View
- 7 834.26 cm-1 View
- 8 910.93 cm-1 View
- 9 979.06 cm-1 View
- 10 1017.29 cm-1 View
- 11 1029.65 cm-1 View
- 12 1115.06 cm-1 View
- 13 1119.95 cm-1 View
- 14 1151.28 cm-1 View
- 15 1153.67 cm-1 View
- 16 1172.86 cm-1 View
- 17 1292.40 cm-1 View
- 18 1346.73 cm-1 View
- 19 1390.87 cm-1 View
- 20 1407.34 cm-1 View
- 21 1407.46 cm-1 View
- 22 1411.27 cm-1 View
- 23 1412.59 cm-1 View
- 24 1413.24 cm-1 View
- 25 1426.64 cm-1 View
- 26 1426.70 cm-1 View
- 27 2951.74 cm-1 View
- 28 2955.13 cm-1 View
- 29 3032.41 cm-1 View
- 30 3035.76 cm-1 View
- 31 3073.50 cm-1 View
- 32 3077.57 cm-1 View
- 33 3083.22 cm-1 View
- 34 3083.66 cm-1 View
- 35 3179.04 cm-1 View
- 36 3181.16 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 18.20 | kJ mol-1 |
| Polar Solvation Energy | -0.53 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.73 | kJ mol-1 |
| Surface Area | 77.76 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.01 | Debye |