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 | 397.08 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 406.99 | 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 | 75.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 108.77 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.27 | J mol-1 K-1 |
| Rotational | 109.01 | J mol-1 K-1 |
| Vibrational | 67.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 338.98 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -89.91 | kJ mol-1 |
Molecular Orbitals
- 1 -416.30 eV View
- 2 -301.17 eV View
- 3 -300.52 eV View
- 4 -300.42 eV View
- 5 -300.25 eV View
- 6 -30.58 eV View
- 7 -27.83 eV View
- 8 -25.04 eV View
- 9 -22.02 eV View
- 10 -20.35 eV View
- 11 -16.92 eV View
- 12 -16.37 eV View
- 13 -15.35 eV View
- 14 -14.81 eV View
- 15 -14.07 eV View
- 16 -13.32 eV View
- 17 -12.88 eV View
- 18 -11.91 eV View
- 19 -11.58 eV View
- 20 -11.26 eV View
- 21 -8.59 eV View
- 22 15.70 eV View
- 23 16.13 eV View
- 24 16.72 eV View
- 25 17.54 eV View
- 26 18.36 eV View
- 27 18.85 eV View
- 28 18.98 eV View
- 29 19.86 eV View
- 30 20.34 eV View
- 31 20.72 eV View
- 32 21.08 eV View
- 33 21.32 eV View
- 34 21.80 eV View
- 35 22.16 eV View
- 36 22.39 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 75.31 cm-1 View
- 2 110.45 cm-1 View
- 3 197.66 cm-1 View
- 4 198.47 cm-1 View
- 5 297.32 cm-1 View
- 6 366.75 cm-1 View
- 7 508.65 cm-1 View
- 8 784.27 cm-1 View
- 9 847.86 cm-1 View
- 10 898.04 cm-1 View
- 11 947.70 cm-1 View
- 12 993.14 cm-1 View
- 13 1033.42 cm-1 View
- 14 1057.29 cm-1 View
- 15 1107.68 cm-1 View
- 16 1125.67 cm-1 View
- 17 1135.53 cm-1 View
- 18 1152.97 cm-1 View
- 19 1162.27 cm-1 View
- 20 1171.35 cm-1 View
- 21 1189.77 cm-1 View
- 22 1255.74 cm-1 View
- 23 1328.49 cm-1 View
- 24 1370.45 cm-1 View
- 25 1386.93 cm-1 View
- 26 1405.40 cm-1 View
- 27 1409.05 cm-1 View
- 28 1411.27 cm-1 View
- 29 1414.64 cm-1 View
- 30 1431.61 cm-1 View
- 31 1667.34 cm-1 View
- 32 2906.93 cm-1 View
- 33 2943.42 cm-1 View
- 34 2956.80 cm-1 View
- 35 2991.13 cm-1 View
- 36 3028.94 cm-1 View
- 37 3033.52 cm-1 View
- 38 3079.27 cm-1 View
- 39 3084.85 cm-1 View
- 40 3181.94 cm-1 View
- 41 3383.33 cm-1 View
- 42 3519.13 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 9.43 | kJ mol-1 |
| Polar Solvation Energy | -8.88 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.35 | kJ mol-1 |
| Surface Area | 90.14 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.54 | Debye |