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 | 397.27 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 407.19 | 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 | 75.62 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 108.88 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.27 | J mol-1 K-1 |
| Rotational | 108.74 | J mol-1 K-1 |
| Vibrational | 66.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 337.88 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -97.35 | kJ mol-1 |
Molecular Orbitals
- 1 -416.30 eV View
- 2 -301.20 eV View
- 3 -300.56 eV View
- 4 -300.48 eV View
- 5 -300.30 eV View
- 6 -30.64 eV View
- 7 -27.94 eV View
- 8 -25.03 eV View
- 9 -21.87 eV View
- 10 -20.70 eV View
- 11 -17.36 eV View
- 12 -16.06 eV View
- 13 -15.31 eV View
- 14 -14.79 eV View
- 15 -14.06 eV View
- 16 -13.30 eV View
- 17 -12.41 eV View
- 18 -12.34 eV View
- 19 -11.87 eV View
- 20 -11.65 eV View
- 21 -8.45 eV View
- 22 15.65 eV View
- 23 15.89 eV View
- 24 17.12 eV View
- 25 17.59 eV View
- 26 18.11 eV View
- 27 19.00 eV View
- 28 19.61 eV View
- 29 19.70 eV View
- 30 20.24 eV View
- 31 20.47 eV View
- 32 21.07 eV View
- 33 21.35 eV View
- 34 21.44 eV View
- 35 21.73 eV View
- 36 22.36 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 93.39 cm-1 View
- 2 97.43 cm-1 View
- 3 196.76 cm-1 View
- 4 219.44 cm-1 View
- 5 259.20 cm-1 View
- 6 425.96 cm-1 View
- 7 458.40 cm-1 View
- 8 768.95 cm-1 View
- 9 829.73 cm-1 View
- 10 921.86 cm-1 View
- 11 954.02 cm-1 View
- 12 987.13 cm-1 View
- 13 1046.78 cm-1 View
- 14 1082.07 cm-1 View
- 15 1115.59 cm-1 View
- 16 1125.70 cm-1 View
- 17 1139.21 cm-1 View
- 18 1146.50 cm-1 View
- 19 1149.20 cm-1 View
- 20 1166.15 cm-1 View
- 21 1189.15 cm-1 View
- 22 1237.46 cm-1 View
- 23 1326.11 cm-1 View
- 24 1378.41 cm-1 View
- 25 1382.47 cm-1 View
- 26 1402.45 cm-1 View
- 27 1409.19 cm-1 View
- 28 1411.24 cm-1 View
- 29 1417.42 cm-1 View
- 30 1432.89 cm-1 View
- 31 1674.22 cm-1 View
- 32 2931.97 cm-1 View
- 33 2945.66 cm-1 View
- 34 2957.16 cm-1 View
- 35 3005.59 cm-1 View
- 36 3025.83 cm-1 View
- 37 3033.74 cm-1 View
- 38 3079.33 cm-1 View
- 39 3085.49 cm-1 View
- 40 3182.53 cm-1 View
- 41 3379.69 cm-1 View
- 42 3516.10 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 10.72 | kJ mol-1 |
| Polar Solvation Energy | -8.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.73 | kJ mol-1 |
| Surface Area | 93.77 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.60 | Debye |