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 | 350.05 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 359.96 | 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 | 57.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 90.84 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.40 | J mol-1 K-1 |
| Rotational | 102.44 | J mol-1 K-1 |
| Vibrational | 46.95 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 308.78 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -121.46 | 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 -16.54 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 -11.89 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 18.18 eV View
- 22 18.40 eV View
- 23 19.93 eV View
- 24 20.32 eV View
- 25 20.48 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 98.87 cm-1 View
- 2 186.96 cm-1 View
- 3 204.79 cm-1 View
- 4 303.48 cm-1 View
- 5 460.16 cm-1 View
- 6 776.49 cm-1 View
- 7 862.79 cm-1 View
- 8 912.29 cm-1 View
- 9 964.17 cm-1 View
- 10 999.71 cm-1 View
- 11 1114.80 cm-1 View
- 12 1118.18 cm-1 View
- 13 1144.18 cm-1 View
- 14 1145.82 cm-1 View
- 15 1145.88 cm-1 View
- 16 1166.56 cm-1 View
- 17 1257.13 cm-1 View
- 18 1361.95 cm-1 View
- 19 1385.61 cm-1 View
- 20 1409.17 cm-1 View
- 21 1409.19 cm-1 View
- 22 1411.47 cm-1 View
- 23 1412.06 cm-1 View
- 24 1417.12 cm-1 View
- 25 1421.39 cm-1 View
- 26 1439.57 cm-1 View
- 27 2946.40 cm-1 View
- 28 2959.71 cm-1 View
- 29 3033.11 cm-1 View
- 30 3035.75 cm-1 View
- 31 3078.46 cm-1 View
- 32 3078.67 cm-1 View
- 33 3084.49 cm-1 View
- 34 3084.57 cm-1 View
- 35 3181.60 cm-1 View
- 36 3181.61 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 16.50 | kJ mol-1 |
| Polar Solvation Energy | -0.52 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.05 | kJ mol-1 |
| Surface Area | 88.44 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |