1,3-dichloropropane
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 | 229.06 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 238.98 | 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 | 60.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 93.54 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.59 | J mol-1 K-1 |
| Rotational | 115.83 | J mol-1 K-1 |
| Vibrational | 60.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 344.01 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -127.23 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.23 eV View
- 2 -2819.23 eV View
- 3 -302.67 eV View
- 4 -302.67 eV View
- 5 -301.73 eV View
- 6 -280.52 eV View
- 7 -280.52 eV View
- 8 -210.93 eV View
- 9 -210.93 eV View
- 10 -210.78 eV View
- 11 -210.78 eV View
- 12 -210.78 eV View
- 13 -210.78 eV View
- 14 -30.27 eV View
- 15 -28.90 eV View
- 16 -26.09 eV View
- 17 -22.78 eV View
- 18 -21.69 eV View
- 19 -17.85 eV View
- 20 -15.87 eV View
- 21 -15.69 eV View
- 22 -14.85 eV View
- 23 -13.12 eV View
- 24 -13.09 eV View
- 25 -12.14 eV View
- 26 -10.22 eV View
- 27 -10.00 eV View
- 28 -9.90 eV View
- 29 -9.62 eV View
- 30 9.77 eV View
- 31 11.22 eV View
- 32 15.01 eV View
- 33 16.92 eV View
- 34 17.50 eV View
- 35 17.59 eV View
- 36 19.19 eV View
- 37 19.29 eV View
- 38 19.41 eV View
- 39 20.60 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 76.50 cm-1 View
- 2 82.60 cm-1 View
- 3 146.41 cm-1 View
- 4 307.43 cm-1 View
- 5 373.54 cm-1 View
- 6 664.36 cm-1 View
- 7 770.06 cm-1 View
- 8 776.09 cm-1 View
- 9 856.20 cm-1 View
- 10 1013.78 cm-1 View
- 11 1056.80 cm-1 View
- 12 1116.08 cm-1 View
- 13 1120.64 cm-1 View
- 14 1127.90 cm-1 View
- 15 1144.03 cm-1 View
- 16 1199.07 cm-1 View
- 17 1257.37 cm-1 View
- 18 1354.93 cm-1 View
- 19 1370.50 cm-1 View
- 20 1403.88 cm-1 View
- 21 1409.76 cm-1 View
- 22 2956.56 cm-1 View
- 23 3002.35 cm-1 View
- 24 3002.64 cm-1 View
- 25 3039.68 cm-1 View
- 26 3058.91 cm-1 View
- 27 3059.85 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 |