1-chlorobutane
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 | 327.93 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 337.85 | 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 | 69.09 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 102.35 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.14 | J mol-1 K-1 |
| Rotational | 112.18 | J mol-1 K-1 |
| Vibrational | 64.66 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 341.98 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -137.10 | kJ mol-1 |
Molecular Orbitals
- 1 -2818.80 eV View
- 2 -302.23 eV View
- 3 -301.02 eV View
- 4 -300.86 eV View
- 5 -300.47 eV View
- 6 -280.11 eV View
- 7 -210.52 eV View
- 8 -210.37 eV View
- 9 -210.37 eV View
- 10 -29.51 eV View
- 11 -27.68 eV View
- 12 -24.95 eV View
- 13 -21.97 eV View
- 14 -21.02 eV View
- 15 -17.29 eV View
- 16 -15.71 eV View
- 17 -15.49 eV View
- 18 -14.55 eV View
- 19 -13.49 eV View
- 20 -13.25 eV View
- 21 -12.53 eV View
- 22 -11.99 eV View
- 23 -11.52 eV View
- 24 -9.62 eV View
- 25 -9.53 eV View
- 26 10.79 eV View
- 27 15.38 eV View
- 28 16.48 eV View
- 29 17.41 eV View
- 30 17.54 eV View
- 31 18.58 eV View
- 32 19.15 eV View
- 33 19.81 eV View
- 34 20.14 eV View
- 35 20.62 eV View
- 36 20.79 eV View
- 37 21.25 eV View
- 38 21.78 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 80.89 cm-1 View
- 2 96.50 cm-1 View
- 3 179.26 cm-1 View
- 4 199.10 cm-1 View
- 5 342.76 cm-1 View
- 6 429.83 cm-1 View
- 7 720.65 cm-1 View
- 8 768.24 cm-1 View
- 9 834.05 cm-1 View
- 10 938.85 cm-1 View
- 11 956.16 cm-1 View
- 12 1042.80 cm-1 View
- 13 1112.25 cm-1 View
- 14 1121.71 cm-1 View
- 15 1136.60 cm-1 View
- 16 1138.75 cm-1 View
- 17 1150.17 cm-1 View
- 18 1152.17 cm-1 View
- 19 1213.02 cm-1 View
- 20 1289.02 cm-1 View
- 21 1365.74 cm-1 View
- 22 1379.89 cm-1 View
- 23 1407.60 cm-1 View
- 24 1407.98 cm-1 View
- 25 1410.38 cm-1 View
- 26 1414.42 cm-1 View
- 27 1433.27 cm-1 View
- 28 2946.91 cm-1 View
- 29 2960.00 cm-1 View
- 30 3004.30 cm-1 View
- 31 3032.48 cm-1 View
- 32 3036.11 cm-1 View
- 33 3061.12 cm-1 View
- 34 3079.06 cm-1 View
- 35 3084.77 cm-1 View
- 36 3181.25 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 |