2,3-dihydrothieno[3,4-b][1,4]dioxine
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 | 300.99 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 310.91 | 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 | 92.14 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 125.40 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.55 | J mol-1 K-1 |
| Rotational | 121.24 | J mol-1 K-1 |
| Vibrational | 61.78 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 353.57 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -149.95 | kJ mol-1 |
Molecular Orbitals
- 1 -2474.75 eV View
- 2 -552.79 eV View
- 3 -552.79 eV View
- 4 -302.78 eV View
- 5 -302.77 eV View
- 6 -301.89 eV View
- 7 -301.89 eV View
- 8 -300.49 eV View
- 9 -300.49 eV View
- 10 -239.95 eV View
- 11 -175.63 eV View
- 12 -175.58 eV View
- 13 -175.49 eV View
- 14 -37.27 eV View
- 15 -36.20 eV View
- 16 -30.34 eV View
- 17 -26.82 eV View
- 18 -25.46 eV View
- 19 -24.30 eV View
- 20 -22.36 eV View
- 21 -20.12 eV View
- 22 -18.59 eV View
- 23 -17.89 eV View
- 24 -16.85 eV View
- 25 -16.48 eV View
- 26 -15.64 eV View
- 27 -14.67 eV View
- 28 -14.59 eV View
- 29 -13.78 eV View
- 30 -13.36 eV View
- 31 -12.79 eV View
- 32 -11.49 eV View
- 33 -11.16 eV View
- 34 -11.07 eV View
- 35 -10.11 eV View
- 36 -7.00 eV View
- 37 -6.90 eV View
- 38 6.67 eV View
- 39 10.54 eV View
- 40 10.63 eV View
- 41 12.45 eV View
- 42 13.79 eV View
- 43 15.56 eV View
- 44 15.75 eV View
- 45 16.67 eV View
- 46 17.68 eV View
- 47 17.96 eV View
- 48 18.73 eV View
- 49 19.04 eV View
- 50 19.81 eV View
- 51 20.02 eV View
- 52 22.48 eV View
- 53 23.99 eV View
- 54 25.36 eV View
- 55 28.64 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 109.66 cm-1 View
- 2 181.26 cm-1 View
- 3 270.02 cm-1 View
- 4 287.55 cm-1 View
- 5 381.08 cm-1 View
- 6 414.07 cm-1 View
- 7 466.81 cm-1 View
- 8 525.31 cm-1 View
- 9 584.81 cm-1 View
- 10 673.67 cm-1 View
- 11 708.35 cm-1 View
- 12 799.78 cm-1 View
- 13 829.81 cm-1 View
- 14 861.12 cm-1 View
- 15 873.81 cm-1 View
- 16 884.62 cm-1 View
- 17 942.27 cm-1 View
- 18 973.95 cm-1 View
- 19 1013.58 cm-1 View
- 20 1022.38 cm-1 View
- 21 1075.14 cm-1 View
- 22 1093.39 cm-1 View
- 23 1099.52 cm-1 View
- 24 1123.59 cm-1 View
- 25 1166.41 cm-1 View
- 26 1303.89 cm-1 View
- 27 1321.63 cm-1 View
- 28 1347.41 cm-1 View
- 29 1358.90 cm-1 View
- 30 1368.03 cm-1 View
- 31 1552.52 cm-1 View
- 32 1720.70 cm-1 View
- 33 1789.49 cm-1 View
- 34 2957.42 cm-1 View
- 35 2969.21 cm-1 View
- 36 3036.28 cm-1 View
- 37 3040.30 cm-1 View
- 38 3142.19 cm-1 View
- 39 3145.83 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -0.21 | kJ mol-1 |
| Polar Solvation Energy | -17.76 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.56 | kJ mol-1 |
| Surface Area | 123.79 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.73 | Debye |