1,3-dioxolan-2-one
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 | 194.45 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 204.36 | 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 | 49.26 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 82.52 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.59 | J mol-1 K-1 |
| Rotational | 107.96 | J mol-1 K-1 |
| Vibrational | 33.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 306.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -522.61 | kJ mol-1 |
Molecular Orbitals
- 1 -553.20 eV View
- 2 -553.20 eV View
- 3 -551.33 eV View
- 4 -305.53 eV View
- 5 -303.15 eV View
- 6 -303.14 eV View
- 7 -39.38 eV View
- 8 -35.82 eV View
- 9 -35.68 eV View
- 10 -27.12 eV View
- 11 -23.08 eV View
- 12 -20.28 eV View
- 13 -18.63 eV View
- 14 -17.41 eV View
- 15 -16.73 eV View
- 16 -15.43 eV View
- 17 -14.99 eV View
- 18 -14.11 eV View
- 19 -12.81 eV View
- 20 -12.28 eV View
- 21 -10.50 eV View
- 22 -9.71 eV View
- 23 -9.25 eV View
- 24 8.78 eV View
- 25 12.94 eV View
- 26 14.67 eV View
- 27 15.37 eV View
- 28 15.96 eV View
- 29 17.74 eV View
- 30 18.58 eV View
- 31 19.10 eV View
- 32 20.37 eV View
- 33 22.23 eV View
- 34 26.99 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 164.37 cm-1 View
- 2 167.56 cm-1 View
- 3 361.23 cm-1 View
- 4 612.31 cm-1 View
- 5 637.65 cm-1 View
- 6 752.64 cm-1 View
- 7 827.97 cm-1 View
- 8 948.97 cm-1 View
- 9 954.59 cm-1 View
- 10 999.81 cm-1 View
- 11 1020.54 cm-1 View
- 12 1068.79 cm-1 View
- 13 1072.78 cm-1 View
- 14 1097.65 cm-1 View
- 15 1273.19 cm-1 View
- 16 1279.33 cm-1 View
- 17 1361.40 cm-1 View
- 18 1390.97 cm-1 View
- 19 1405.97 cm-1 View
- 20 2039.24 cm-1 View
- 21 2982.42 cm-1 View
- 22 2996.72 cm-1 View
- 23 3034.72 cm-1 View
- 24 3036.48 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -20.16 | kJ mol-1 |
| Polar Solvation Energy | -27.09 | kJ mol-1 |
| Nonpolar Solvation Energy | 6.94 | kJ mol-1 |
| Surface Area | 86.51 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.73 | Debye |