1-fluoropropane
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 | 255.15 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 265.07 | 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 | 44.50 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 77.76 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 160.23 | J mol-1 K-1 |
| Rotational | 101.67 | J mol-1 K-1 |
| Vibrational | 36.10 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 298.00 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -274.02 | kJ mol-1 |
Molecular Orbitals
- 1 -705.02 eV View
- 2 -302.34 eV View
- 3 -300.80 eV View
- 4 -300.53 eV View
- 5 -40.37 eV View
- 6 -27.81 eV View
- 7 -23.86 eV View
- 8 -21.18 eV View
- 9 -17.28 eV View
- 10 -15.76 eV View
- 11 -15.44 eV View
- 12 -15.04 eV View
- 13 -13.35 eV View
- 14 -12.80 eV View
- 15 -12.44 eV View
- 16 -10.82 eV View
- 17 -10.62 eV View
- 18 15.65 eV View
- 19 16.07 eV View
- 20 17.08 eV View
- 21 18.90 eV View
- 22 19.04 eV View
- 23 19.94 eV View
- 24 20.35 eV View
- 25 20.60 eV View
- 26 20.99 eV View
- 27 21.61 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 97.03 cm-1 View
- 2 192.69 cm-1 View
- 3 326.49 cm-1 View
- 4 488.71 cm-1 View
- 5 783.86 cm-1 View
- 6 909.55 cm-1 View
- 7 943.42 cm-1 View
- 8 1041.55 cm-1 View
- 9 1120.37 cm-1 View
- 10 1124.81 cm-1 View
- 11 1134.07 cm-1 View
- 12 1137.92 cm-1 View
- 13 1168.15 cm-1 View
- 14 1304.74 cm-1 View
- 15 1362.28 cm-1 View
- 16 1396.70 cm-1 View
- 17 1407.62 cm-1 View
- 18 1408.86 cm-1 View
- 19 1426.88 cm-1 View
- 20 1523.53 cm-1 View
- 21 2960.86 cm-1 View
- 22 2974.00 cm-1 View
- 23 3017.24 cm-1 View
- 24 3048.25 cm-1 View
- 25 3079.11 cm-1 View
- 26 3085.45 cm-1 View
- 27 3181.40 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]
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 |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]