2,3-dihydrothieno[3,4-b][1,4]dioxine

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational300.99kJ mol-1
Total (Trans. + Rot. + Vib.)310.91kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational92.14J mol-1 K-1
Total (Trans. + Rot. + Vib.)125.40J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.55J mol-1 K-1
Rotational121.24J mol-1 K-1
Vibrational61.78J mol-1 K-1
Total (Trans. + Rot. + Vib.)353.57J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-149.95kJ mol-1

Molecular Orbitals


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
PropertyValueUnit
Total Solvation Energy-0.21kJ mol-1
Polar Solvation Energy-17.76kJ mol-1
Nonpolar Solvation Energy17.56kJ mol-1
Surface Area123.79Å2
Charge of Molecule0
Dipole2.73Debye