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 | 184.08 | 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 | 31.93 | 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 | 11.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 273.89 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -16.84 | 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 -299.83 eV View
- 6 -37.53 eV View
- 7 -27.57 eV View
- 8 -25.38 eV View
- 9 -19.89 eV View
- 10 -19.65 eV View
- 11 -18.27 eV View
- 12 -14.94 eV View
- 13 -14.51 eV View
- 14 -14.02 eV View
- 15 -13.28 eV View
- 16 -12.21 eV View
- 17 -8.71 eV View
- 18 -7.08 eV View
- 19 7.67 eV View
- 20 10.41 eV View
- 21 15.36 eV View
- 22 16.70 eV View
- 23 16.98 eV View
- 24 18.28 eV View
- 25 20.34 eV View
- 26 20.61 eV View
- 27 25.00 eV View
- 28 25.43 eV View
- 29 30.44 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 507.55 cm-1 View
- 2 521.00 cm-1 View
- 3 771.89 cm-1 View
- 4 784.53 cm-1 View
- 5 872.97 cm-1 View
- 6 879.04 cm-1 View
- 7 886.93 cm-1 View
- 8 944.59 cm-1 View
- 9 980.04 cm-1 View
- 10 1028.83 cm-1 View
- 11 1071.35 cm-1 View
- 12 1104.06 cm-1 View
- 13 1287.46 cm-1 View
- 14 1309.49 cm-1 View
- 15 1487.52 cm-1 View
- 16 1609.60 cm-1 View
- 17 1698.82 cm-1 View
- 18 3128.13 cm-1 View
- 19 3133.29 cm-1 View
- 20 3164.92 cm-1 View
- 21 3175.93 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 1.09 | kJ mol-1 |
| Polar Solvation Energy | -6.64 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.73 | kJ mol-1 |
| Surface Area | 81.14 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.25 | Debye |