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 | 350.07 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 359.98 | 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 | 57.55 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 90.81 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.40 | J mol-1 K-1 |
| Rotational | 102.43 | J mol-1 K-1 |
| Vibrational | 46.85 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 308.68 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -121.47 | 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 -28.16 eV View
- 6 -25.67 eV View
- 7 -22.34 eV View
- 8 -20.49 eV View
- 9 -16.55 eV View
- 10 -15.13 eV View
- 11 -14.80 eV View
- 12 -14.58 eV View
- 13 -13.16 eV View
- 14 -12.50 eV View
- 15 -11.90 eV View
- 16 -11.50 eV View
- 17 -11.29 eV View
- 18 16.01 eV View
- 19 16.45 eV View
- 20 18.14 eV View
- 21 18.19 eV View
- 22 18.40 eV View
- 23 19.93 eV View
- 24 20.32 eV View
- 25 20.49 eV View
- 26 20.75 eV View
- 27 21.36 eV View
- 28 21.45 eV View
- 29 21.90 eV View
- 30 22.31 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 98.57 cm-1 View
- 2 188.67 cm-1 View
- 3 205.96 cm-1 View
- 4 303.62 cm-1 View
- 5 460.39 cm-1 View
- 6 776.67 cm-1 View
- 7 863.11 cm-1 View
- 8 912.69 cm-1 View
- 9 964.18 cm-1 View
- 10 999.85 cm-1 View
- 11 1114.79 cm-1 View
- 12 1118.20 cm-1 View
- 13 1144.11 cm-1 View
- 14 1145.90 cm-1 View
- 15 1146.10 cm-1 View
- 16 1166.89 cm-1 View
- 17 1257.16 cm-1 View
- 18 1362.07 cm-1 View
- 19 1385.69 cm-1 View
- 20 1409.09 cm-1 View
- 21 1409.13 cm-1 View
- 22 1411.29 cm-1 View
- 23 1411.88 cm-1 View
- 24 1417.47 cm-1 View
- 25 1421.41 cm-1 View
- 26 1439.63 cm-1 View
- 27 2946.62 cm-1 View
- 28 2959.94 cm-1 View
- 29 3033.59 cm-1 View
- 30 3036.22 cm-1 View
- 31 3078.28 cm-1 View
- 32 3078.85 cm-1 View
- 33 3084.20 cm-1 View
- 34 3084.58 cm-1 View
- 35 3180.97 cm-1 View
- 36 3181.50 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 16.70 | kJ mol-1 |
| Polar Solvation Energy | -0.61 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.26 | kJ mol-1 |
| Surface Area | 83.89 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |