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 | 396.42 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 406.34 | 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 | 75.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 108.99 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.27 | J mol-1 K-1 |
| Rotational | 108.97 | J mol-1 K-1 |
| Vibrational | 76.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 347.68 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -86.54 | kJ mol-1 |
Molecular Orbitals
- 1 -416.32 eV View
- 2 -301.18 eV View
- 3 -300.41 eV View
- 4 -300.26 eV View
- 5 -300.08 eV View
- 6 -30.58 eV View
- 7 -27.68 eV View
- 8 -24.88 eV View
- 9 -22.23 eV View
- 10 -19.98 eV View
- 11 -16.85 eV View
- 12 -16.27 eV View
- 13 -15.32 eV View
- 14 -14.96 eV View
- 15 -13.81 eV View
- 16 -13.19 eV View
- 17 -12.82 eV View
- 18 -11.70 eV View
- 19 -11.48 eV View
- 20 -11.25 eV View
- 21 -8.58 eV View
- 22 15.85 eV View
- 23 16.04 eV View
- 24 17.23 eV View
- 25 17.38 eV View
- 26 18.39 eV View
- 27 18.84 eV View
- 28 19.02 eV View
- 29 19.78 eV View
- 30 20.26 eV View
- 31 20.86 eV View
- 32 21.07 eV View
- 33 21.51 eV View
- 34 22.08 eV View
- 35 22.42 eV View
- 36 22.51 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 35.95 cm-1 View
- 2 87.56 cm-1 View
- 3 161.09 cm-1 View
- 4 205.33 cm-1 View
- 5 290.86 cm-1 View
- 6 438.53 cm-1 View
- 7 482.92 cm-1 View
- 8 808.30 cm-1 View
- 9 848.28 cm-1 View
- 10 894.80 cm-1 View
- 11 938.50 cm-1 View
- 12 983.42 cm-1 View
- 13 1019.83 cm-1 View
- 14 1031.21 cm-1 View
- 15 1081.15 cm-1 View
- 16 1106.27 cm-1 View
- 17 1133.90 cm-1 View
- 18 1144.26 cm-1 View
- 19 1154.20 cm-1 View
- 20 1177.43 cm-1 View
- 21 1199.21 cm-1 View
- 22 1283.58 cm-1 View
- 23 1324.66 cm-1 View
- 24 1360.06 cm-1 View
- 25 1381.62 cm-1 View
- 26 1399.02 cm-1 View
- 27 1405.16 cm-1 View
- 28 1410.72 cm-1 View
- 29 1417.57 cm-1 View
- 30 1424.13 cm-1 View
- 31 1670.78 cm-1 View
- 32 2903.38 cm-1 View
- 33 2945.27 cm-1 View
- 34 2955.79 cm-1 View
- 35 2976.59 cm-1 View
- 36 3027.42 cm-1 View
- 37 3036.08 cm-1 View
- 38 3069.83 cm-1 View
- 39 3082.28 cm-1 View
- 40 3176.55 cm-1 View
- 41 3386.11 cm-1 View
- 42 3521.48 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 8.74 | kJ mol-1 |
| Polar Solvation Energy | -8.05 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.76 | kJ mol-1 |
| Surface Area | 90.93 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.51 | Debye |