Furan
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 | 184.09 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 194.00 | 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 | 31.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 65.19 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.37 | J mol-1 K-1 |
| Rotational | 101.36 | J mol-1 K-1 |
| Vibrational | 11.16 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 273.89 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -16.71 | kJ mol-1 |
Molecular Orbitals
- 1 -554.14 eV View
- 2 -301.23 eV View
- 3 -301.21 eV View
- 4 -299.83 eV View
- 5 -299.81 eV View
- 6 -37.52 eV View
- 7 -27.57 eV View
- 8 -25.37 eV View
- 9 -19.87 eV View
- 10 -19.67 eV View
- 11 -18.28 eV View
- 12 -14.93 eV View
- 13 -14.52 eV View
- 14 -14.03 eV View
- 15 -13.25 eV View
- 16 -12.21 eV View
- 17 -8.71 eV View
- 18 -7.08 eV View
- 19 7.67 eV View
- 20 10.42 eV View
- 21 15.34 eV View
- 22 16.70 eV View
- 23 16.97 eV View
- 24 18.28 eV View
- 25 20.39 eV View
- 26 20.56 eV View
- 27 24.98 eV View
- 28 25.47 eV View
- 29 30.45 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 507.77 cm-1 View
- 2 519.86 cm-1 View
- 3 771.92 cm-1 View
- 4 785.59 cm-1 View
- 5 872.73 cm-1 View
- 6 879.26 cm-1 View
- 7 886.71 cm-1 View
- 8 944.30 cm-1 View
- 9 979.66 cm-1 View
- 10 1029.10 cm-1 View
- 11 1071.90 cm-1 View
- 12 1103.20 cm-1 View
- 13 1287.62 cm-1 View
- 14 1307.54 cm-1 View
- 15 1488.94 cm-1 View
- 16 1610.16 cm-1 View
- 17 1699.00 cm-1 View
- 18 3125.96 cm-1 View
- 19 3131.56 cm-1 View
- 20 3166.83 cm-1 View
- 21 3178.27 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -3.67 | kJ mol-1 |
| Polar Solvation Energy | -6.71 | kJ mol-1 |
| Nonpolar Solvation Energy | 3.05 | kJ mol-1 |
| Surface Area | 81.19 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.26 | Debye |