1-furan-2-ylethanone
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 | 293.95 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 303.86 | 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 | 82.83 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 116.08 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.37 | J mol-1 K-1 |
| Rotational | 116.85 | J mol-1 K-1 |
| Vibrational | 73.95 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 358.17 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -187.70 | kJ mol-1 |
Molecular Orbitals
- 1 -554.40 eV View
- 2 -551.70 eV View
- 3 -302.94 eV View
- 4 -301.67 eV View
- 5 -301.37 eV View
- 6 -300.73 eV View
- 7 -300.26 eV View
- 8 -300.09 eV View
- 9 -37.84 eV View
- 10 -36.12 eV View
- 11 -27.89 eV View
- 12 -26.78 eV View
- 13 -25.35 eV View
- 14 -21.30 eV View
- 15 -20.16 eV View
- 16 -18.85 eV View
- 17 -17.29 eV View
- 18 -15.77 eV View
- 19 -15.74 eV View
- 20 -15.04 eV View
- 21 -14.76 eV View
- 22 -14.05 eV View
- 23 -13.64 eV View
- 24 -13.18 eV View
- 25 -12.48 eV View
- 26 -11.50 eV View
- 27 -9.10 eV View
- 28 -8.96 eV View
- 29 -7.04 eV View
- 30 5.84 eV View
- 31 9.02 eV View
- 32 11.15 eV View
- 33 14.65 eV View
- 34 16.21 eV View
- 35 16.40 eV View
- 36 17.71 eV View
- 37 18.30 eV View
- 38 19.19 eV View
- 39 19.29 eV View
- 40 19.83 eV View
- 41 19.93 eV View
- 42 22.07 eV View
- 43 24.13 eV View
- 44 25.28 eV View
- 45 27.84 eV View
- 46 30.50 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 39.99 cm-1 View
- 2 130.01 cm-1 View
- 3 178.89 cm-1 View
- 4 194.15 cm-1 View
- 5 387.59 cm-1 View
- 6 484.22 cm-1 View
- 7 507.17 cm-1 View
- 8 518.98 cm-1 View
- 9 668.71 cm-1 View
- 10 682.72 cm-1 View
- 11 782.72 cm-1 View
- 12 878.24 cm-1 View
- 13 890.22 cm-1 View
- 14 944.99 cm-1 View
- 15 953.51 cm-1 View
- 16 996.53 cm-1 View
- 17 1003.65 cm-1 View
- 18 1033.37 cm-1 View
- 19 1069.50 cm-1 View
- 20 1114.12 cm-1 View
- 21 1241.22 cm-1 View
- 22 1310.87 cm-1 View
- 23 1366.08 cm-1 View
- 24 1386.94 cm-1 View
- 25 1391.59 cm-1 View
- 26 1406.48 cm-1 View
- 27 1496.15 cm-1 View
- 28 1638.53 cm-1 View
- 29 1750.05 cm-1 View
- 30 1953.61 cm-1 View
- 31 3082.56 cm-1 View
- 32 3089.11 cm-1 View
- 33 3123.30 cm-1 View
- 34 3150.85 cm-1 View
- 35 3167.95 cm-1 View
- 36 3179.05 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -3.19 | kJ mol-1 |
| Polar Solvation Energy | -16.74 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.54 | kJ mol-1 |
| Surface Area | 112.79 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.66 | Debye |