Oxolane
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 | 303.61 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 313.52 | 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 | 47.96 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 81.21 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.09 | J mol-1 K-1 |
| Rotational | 104.37 | J mol-1 K-1 |
| Vibrational | 40.80 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 307.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -214.51 | kJ mol-1 |
Molecular Orbitals
- 1 -550.83 eV View
- 2 -301.62 eV View
- 3 -301.61 eV View
- 4 -300.75 eV View
- 5 -300.75 eV View
- 6 -35.38 eV View
- 7 -27.61 eV View
- 8 -25.79 eV View
- 9 -20.92 eV View
- 10 -20.76 eV View
- 11 -17.46 eV View
- 12 -16.89 eV View
- 13 -15.13 eV View
- 14 -14.54 eV View
- 15 -13.51 eV View
- 16 -12.57 eV View
- 17 -12.31 eV View
- 18 -11.64 eV View
- 19 -10.38 eV View
- 20 -8.53 eV View
- 21 14.48 eV View
- 22 14.88 eV View
- 23 15.44 eV View
- 24 17.48 eV View
- 25 18.14 eV View
- 26 18.45 eV View
- 27 19.88 eV View
- 28 20.30 eV View
- 29 20.30 eV View
- 30 20.60 eV View
- 31 21.92 eV View
- 32 22.01 eV View
- 33 23.08 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 72.12 cm-1 View
- 2 92.64 cm-1 View
- 3 686.66 cm-1 View
- 4 717.74 cm-1 View
- 5 776.70 cm-1 View
- 6 826.50 cm-1 View
- 7 931.80 cm-1 View
- 8 977.60 cm-1 View
- 9 1002.69 cm-1 View
- 10 1021.24 cm-1 View
- 11 1029.12 cm-1 View
- 12 1067.48 cm-1 View
- 13 1074.73 cm-1 View
- 14 1108.08 cm-1 View
- 15 1115.83 cm-1 View
- 16 1128.79 cm-1 View
- 17 1132.29 cm-1 View
- 18 1283.63 cm-1 View
- 19 1291.73 cm-1 View
- 20 1305.71 cm-1 View
- 21 1359.52 cm-1 View
- 22 1377.33 cm-1 View
- 23 1393.08 cm-1 View
- 24 1413.75 cm-1 View
- 25 1432.75 cm-1 View
- 26 2964.18 cm-1 View
- 27 2966.71 cm-1 View
- 28 2982.89 cm-1 View
- 29 2996.22 cm-1 View
- 30 3030.99 cm-1 View
- 31 3033.17 cm-1 View
- 32 3069.05 cm-1 View
- 33 3073.69 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 | -8.59 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.70 | kJ mol-1 |
| Surface Area | 82.80 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.95 | Debye |