1,3-dioxane
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 | 315.65 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 325.56 | 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 | 60.84 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 94.09 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.59 | J mol-1 K-1 |
| Rotational | 108.81 | J mol-1 K-1 |
| Vibrational | 34.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 307.91 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -366.93 | kJ mol-1 |
Molecular Orbitals
- 1 -551.37 eV View
- 2 -551.37 eV View
- 3 -303.18 eV View
- 4 -302.06 eV View
- 5 -302.06 eV View
- 6 -300.92 eV View
- 7 -36.92 eV View
- 8 -34.54 eV View
- 9 -27.82 eV View
- 10 -23.60 eV View
- 11 -23.44 eV View
- 12 -20.37 eV View
- 13 -17.72 eV View
- 14 -16.53 eV View
- 15 -16.29 eV View
- 16 -16.02 eV View
- 17 -15.01 eV View
- 18 -13.88 eV View
- 19 -13.57 eV View
- 20 -12.73 eV View
- 21 -10.80 eV View
- 22 -10.67 eV View
- 23 -9.07 eV View
- 24 -8.87 eV View
- 25 14.51 eV View
- 26 14.81 eV View
- 27 15.85 eV View
- 28 16.81 eV View
- 29 17.27 eV View
- 30 18.14 eV View
- 31 18.52 eV View
- 32 19.07 eV View
- 33 19.56 eV View
- 34 19.83 eV View
- 35 20.48 eV View
- 36 20.75 eV View
- 37 21.19 eV View
- 38 22.91 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 186.54 cm-1 View
- 2 244.69 cm-1 View
- 3 357.68 cm-1 View
- 4 485.69 cm-1 View
- 5 515.36 cm-1 View
- 6 646.25 cm-1 View
- 7 863.08 cm-1 View
- 8 897.10 cm-1 View
- 9 940.16 cm-1 View
- 10 975.90 cm-1 View
- 11 985.47 cm-1 View
- 12 1010.01 cm-1 View
- 13 1031.34 cm-1 View
- 14 1049.20 cm-1 View
- 15 1103.49 cm-1 View
- 16 1108.25 cm-1 View
- 17 1121.30 cm-1 View
- 18 1124.37 cm-1 View
- 19 1128.82 cm-1 View
- 20 1157.73 cm-1 View
- 21 1279.27 cm-1 View
- 22 1309.53 cm-1 View
- 23 1332.09 cm-1 View
- 24 1344.02 cm-1 View
- 25 1367.09 cm-1 View
- 26 1368.94 cm-1 View
- 27 1378.56 cm-1 View
- 28 1409.27 cm-1 View
- 29 2889.75 cm-1 View
- 30 2942.88 cm-1 View
- 31 2944.62 cm-1 View
- 32 2982.34 cm-1 View
- 33 3021.61 cm-1 View
- 34 3041.75 cm-1 View
- 35 3042.32 cm-1 View
- 36 3059.53 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -4.80 | kJ mol-1 |
| Polar Solvation Energy | -14.56 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.74 | kJ mol-1 |
| Surface Area | 90.99 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.41 | Debye |