1-bromobutane
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 | 328.11 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 338.03 | 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 | 69.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 102.83 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.01 | J mol-1 K-1 |
| Rotational | 115.54 | J mol-1 K-1 |
| Vibrational | 66.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 351.60 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -92.32 | kJ mol-1 |
Molecular Orbitals
- 1 -13190.75 eV View
- 2 -1732.93 eV View
- 3 -1573.24 eV View
- 4 -1573.17 eV View
- 5 -1573.17 eV View
- 6 -301.73 eV View
- 7 -300.96 eV View
- 8 -300.76 eV View
- 9 -300.42 eV View
- 10 -249.80 eV View
- 11 -187.07 eV View
- 12 -186.73 eV View
- 13 -186.73 eV View
- 14 -61.49 eV View
- 15 -61.37 eV View
- 16 -61.36 eV View
- 17 -61.02 eV View
- 18 -61.02 eV View
- 19 -28.91 eV View
- 20 -26.64 eV View
- 21 -23.59 eV View
- 22 -21.12 eV View
- 23 -20.87 eV View
- 24 -17.21 eV View
- 25 -15.60 eV View
- 26 -15.37 eV View
- 27 -14.39 eV View
- 28 -13.13 eV View
- 29 -13.03 eV View
- 30 -12.45 eV View
- 31 -11.93 eV View
- 32 -10.44 eV View
- 33 -8.17 eV View
- 34 -8.08 eV View
- 35 9.55 eV View
- 36 15.47 eV View
- 37 16.66 eV View
- 38 17.52 eV View
- 39 17.62 eV View
- 40 18.55 eV View
- 41 19.33 eV View
- 42 20.03 eV View
- 43 20.34 eV View
- 44 20.67 eV View
- 45 20.95 eV View
- 46 21.26 eV View
- 47 21.97 eV View
- 48 2908.99 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 83.87 cm-1 View
- 2 95.53 cm-1 View
- 3 160.14 cm-1 View
- 4 198.44 cm-1 View
- 5 312.65 cm-1 View
- 6 428.50 cm-1 View
- 7 715.00 cm-1 View
- 8 770.51 cm-1 View
- 9 836.12 cm-1 View
- 10 937.40 cm-1 View
- 11 955.90 cm-1 View
- 12 1017.11 cm-1 View
- 13 1118.21 cm-1 View
- 14 1120.63 cm-1 View
- 15 1138.23 cm-1 View
- 16 1139.69 cm-1 View
- 17 1144.09 cm-1 View
- 18 1157.93 cm-1 View
- 19 1208.44 cm-1 View
- 20 1289.08 cm-1 View
- 21 1359.24 cm-1 View
- 22 1380.40 cm-1 View
- 23 1407.41 cm-1 View
- 24 1409.86 cm-1 View
- 25 1412.01 cm-1 View
- 26 1415.31 cm-1 View
- 27 1438.30 cm-1 View
- 28 2947.84 cm-1 View
- 29 2960.74 cm-1 View
- 30 3032.89 cm-1 View
- 31 3036.69 cm-1 View
- 32 3046.09 cm-1 View
- 33 3079.41 cm-1 View
- 34 3085.07 cm-1 View
- 35 3087.26 cm-1 View
- 36 3181.48 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |