1-oxacycloprop-2-yne

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational146.78kJ mol-1
Total (Trans. + Rot. + Vib.)156.70kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational14.97J mol-1 K-1
Total (Trans. + Rot. + Vib.)48.22J mol-1 K-1
Entropy
PropertyValueUnit
Translational155.95J mol-1 K-1
Rotational88.96J mol-1 K-1
Vibrational3.88J mol-1 K-1
Total (Trans. + Rot. + Vib.)248.79J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-33.96kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 790.42 cm-1 View
  • 2 891.49 cm-1 View
  • 3 918.04 cm-1 View
  • 4 932.59 cm-1 View
  • 5 1009.90 cm-1 View
  • 6 1069.89 cm-1 View
  • 7 1142.89 cm-1 View
  • 8 1178.42 cm-1 View
  • 9 1300.56 cm-1 View
  • 10 1358.63 cm-1 View
  • 11 1576.05 cm-1 View
  • 12 3036.46 cm-1 View
  • 13 3051.92 cm-1 View
  • 14 3060.99 cm-1 View
  • 15 3062.73 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-3.56kJ mol-1
Polar Solvation Energy-10.15kJ mol-1
Nonpolar Solvation Energy6.56kJ mol-1
Surface Area66.24Å2
Charge of Molecule0
Dipole2.09Debye