Butan-1-amine
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 | 397.37 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 407.28 | 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 | 75.68 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 108.93 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.27 | J mol-1 K-1 |
| Rotational | 108.67 | J mol-1 K-1 |
| Vibrational | 67.85 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 338.79 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -91.56 | kJ mol-1 |
Molecular Orbitals
- 1 -416.30 eV View
- 2 -301.18 eV View
- 3 -300.47 eV View
- 4 -300.40 eV View
- 5 -300.21 eV View
- 6 -30.56 eV View
- 7 -27.86 eV View
- 8 -24.98 eV View
- 9 -21.78 eV View
- 10 -20.58 eV View
- 11 -16.91 eV View
- 12 -16.34 eV View
- 13 -15.24 eV View
- 14 -14.55 eV View
- 15 -14.46 eV View
- 16 -13.28 eV View
- 17 -12.61 eV View
- 18 -11.94 eV View
- 19 -11.59 eV View
- 20 -11.29 eV View
- 21 -8.60 eV View
- 22 15.78 eV View
- 23 15.85 eV View
- 24 17.28 eV View
- 25 17.79 eV View
- 26 18.18 eV View
- 27 18.79 eV View
- 28 19.40 eV View
- 29 19.88 eV View
- 30 20.24 eV View
- 31 20.73 eV View
- 32 20.98 eV View
- 33 21.23 eV View
- 34 21.77 eV View
- 35 21.92 eV View
- 36 22.31 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 95.73 cm-1 View
- 2 98.22 cm-1 View
- 3 197.81 cm-1 View
- 4 215.02 cm-1 View
- 5 220.65 cm-1 View
- 6 427.51 cm-1 View
- 7 456.32 cm-1 View
- 8 767.70 cm-1 View
- 9 833.10 cm-1 View
- 10 930.35 cm-1 View
- 11 950.68 cm-1 View
- 12 1000.82 cm-1 View
- 13 1036.42 cm-1 View
- 14 1088.59 cm-1 View
- 15 1121.94 cm-1 View
- 16 1134.49 cm-1 View
- 17 1141.52 cm-1 View
- 18 1146.63 cm-1 View
- 19 1160.05 cm-1 View
- 20 1172.62 cm-1 View
- 21 1189.03 cm-1 View
- 22 1242.30 cm-1 View
- 23 1328.52 cm-1 View
- 24 1378.31 cm-1 View
- 25 1383.22 cm-1 View
- 26 1406.71 cm-1 View
- 27 1408.80 cm-1 View
- 28 1411.64 cm-1 View
- 29 1418.32 cm-1 View
- 30 1433.81 cm-1 View
- 31 1671.03 cm-1 View
- 32 2905.04 cm-1 View
- 33 2945.18 cm-1 View
- 34 2957.93 cm-1 View
- 35 2988.38 cm-1 View
- 36 3030.33 cm-1 View
- 37 3033.68 cm-1 View
- 38 3078.74 cm-1 View
- 39 3084.93 cm-1 View
- 40 3181.74 cm-1 View
- 41 3386.93 cm-1 View
- 42 3522.11 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 11.27 | kJ mol-1 |
| Polar Solvation Energy | -8.91 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.23 | kJ mol-1 |
| Surface Area | 97.24 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.54 | Debye |