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I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for C4H6OS (Vinyl sulfoxide)

Other names
Divinyl sulfoxide; Ethene, 1,1-sulfinylbis-; TL 907; Vinyl sulfoxide; (vinylsulfinyl)ethene;
INChI
InChI=1/C4H6OS/c1-3-6(5)4-2/h3-4H,1-2H2

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies		 Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation      
Energy 0K   204  
Energy 298.15K   191  
Atomization Enthalpy 298.15K x169x
Atomization Enthalpy 0K  170 
Entropy (298.15K) entropy  187 
Entropy at any temperature   187  
Integrated Heat Capacity integrated heat capacity  187 
Heat Capacity (Cp) Heat capacity  187 
Nuclear Repulsion Energy   201  
HOMO-LUMO Energies HOMO energies   199  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  201  
Internal Coordinates bond lengths bond angles  201 
Products of moments of inertia moments of inertia  194 
Rotational Constants rotational constants  201 
Point Group  202 
Vibrations Vibrational Frequencies vibrations  201 
Vibrational Intensities  201 
Zero-point energies  201 
Vibrational scaling factors  
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   131  
Dipole dipole  131 
Quadrupole quadrupole  131 
Polarizability polarizability  132 
Other results Spin   0  
Number of basis functions   30  
Diagnostics   4  
Conformations   1