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 | 349.82 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 359.73 | 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 | 57.37 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 90.63 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.40 | J mol-1 K-1 |
| Rotational | 102.91 | J mol-1 K-1 |
| Vibrational | 46.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 308.74 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -119.20 | 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 -25.55 eV View
- 7 -22.69 eV View
- 8 -20.18 eV View
- 9 -16.12 eV View
- 10 -16.06 eV View
- 11 -14.84 eV View
- 12 -13.65 eV View
- 13 -13.54 eV View
- 14 -12.83 eV View
- 15 -11.63 eV View
- 16 -11.40 eV View
- 17 -11.37 eV View
- 18 16.21 eV View
- 19 16.38 eV View
- 20 17.30 eV View
- 21 18.21 eV View
- 22 19.07 eV View
- 23 19.72 eV View
- 24 19.74 eV View
- 25 20.54 eV View
- 26 21.17 eV View
- 27 21.22 eV View
- 28 21.79 eV View
- 29 22.09 eV View
- 30 22.28 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 101.50 cm-1 View
- 2 180.15 cm-1 View
- 3 195.63 cm-1 View
- 4 347.11 cm-1 View
- 5 463.81 cm-1 View
- 6 809.16 cm-1 View
- 7 837.81 cm-1 View
- 8 910.06 cm-1 View
- 9 977.37 cm-1 View
- 10 1019.83 cm-1 View
- 11 1029.85 cm-1 View
- 12 1115.01 cm-1 View
- 13 1120.76 cm-1 View
- 14 1151.06 cm-1 View
- 15 1153.18 cm-1 View
- 16 1172.35 cm-1 View
- 17 1293.24 cm-1 View
- 18 1346.33 cm-1 View
- 19 1390.52 cm-1 View
- 20 1407.29 cm-1 View
- 21 1407.75 cm-1 View
- 22 1410.94 cm-1 View
- 23 1412.02 cm-1 View
- 24 1413.05 cm-1 View
- 25 1426.40 cm-1 View
- 26 1426.88 cm-1 View
- 27 2951.34 cm-1 View
- 28 2955.55 cm-1 View
- 29 3031.97 cm-1 View
- 30 3035.71 cm-1 View
- 31 3073.11 cm-1 View
- 32 3076.90 cm-1 View
- 33 3083.27 cm-1 View
- 34 3083.52 cm-1 View
- 35 3178.81 cm-1 View
- 36 3180.77 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 14.95 | kJ mol-1 |
| Polar Solvation Energy | -0.48 | kJ mol-1 |
| Nonpolar Solvation Energy | 15.47 | kJ mol-1 |
| Surface Area | 78.30 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |