1,3-difluoropropane
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 | 237.03 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 246.95 | 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 | 50.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 83.96 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.40 | J mol-1 K-1 |
| Rotational | 108.43 | J mol-1 K-1 |
| Vibrational | 44.50 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 316.34 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -447.10 | kJ mol-1 |
Molecular Orbitals
- 1 -705.24 eV View
- 2 -705.24 eV View
- 3 -302.55 eV View
- 4 -302.54 eV View
- 5 -301.08 eV View
- 6 -40.61 eV View
- 7 -40.54 eV View
- 8 -27.69 eV View
- 9 -23.92 eV View
- 10 -21.04 eV View
- 11 -17.61 eV View
- 12 -17.24 eV View
- 13 -15.83 eV View
- 14 -15.44 eV View
- 15 -15.12 eV View
- 16 -14.01 eV View
- 17 -13.02 eV View
- 18 -11.61 eV View
- 19 -11.32 eV View
- 20 -10.76 eV View
- 21 -10.52 eV View
- 22 15.03 eV View
- 23 15.45 eV View
- 24 16.98 eV View
- 25 17.04 eV View
- 26 18.88 eV View
- 27 19.45 eV View
- 28 19.86 eV View
- 29 20.28 eV View
- 30 20.58 eV View
- 31 21.04 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 68.04 cm-1 View
- 2 151.13 cm-1 View
- 3 284.02 cm-1 View
- 4 468.80 cm-1 View
- 5 544.28 cm-1 View
- 6 839.03 cm-1 View
- 7 914.86 cm-1 View
- 8 973.00 cm-1 View
- 9 1017.67 cm-1 View
- 10 1055.74 cm-1 View
- 11 1067.46 cm-1 View
- 12 1115.42 cm-1 View
- 13 1130.43 cm-1 View
- 14 1159.27 cm-1 View
- 15 1174.05 cm-1 View
- 16 1311.27 cm-1 View
- 17 1359.06 cm-1 View
- 18 1375.30 cm-1 View
- 19 1393.73 cm-1 View
- 20 1512.26 cm-1 View
- 21 1515.62 cm-1 View
- 22 2970.37 cm-1 View
- 23 2973.04 cm-1 View
- 24 2981.25 cm-1 View
- 25 3018.50 cm-1 View
- 26 3019.14 cm-1 View
- 27 3050.04 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 |