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

All data (experiment and calculated) in the CCCBDB for CH2CHSCHCH2 (Divinyl sulfide)

Other names
Divinyl sulfide; Divinyl thioether; Ethene, 1,1'-thiobis-; Vinyl sulfide; divinylsulfane;
INChI
InChI=1/C4H6S/c1-3-5-4-2/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   165  
Energy 298.15K   151  
Atomization Enthalpy 298.15K x160x
Atomization Enthalpy 0K  165 
Entropy (298.15K) entropy  165 
Entropy at any temperature   165  
Integrated Heat Capacity integrated heat capacity  164 
Heat Capacity (Cp) Heat capacity  164 
Nuclear Repulsion Energy   154  
HOMO-LUMO Energies HOMO energies   147  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  153  
Internal Coordinates bond lengths bond angles  153 
Products of moments of inertia moments of inertia  143 
Rotational Constants rotational constants  147 
Point Group  149 
Vibrations Vibrational Frequencies vibrations  147 
Vibrational Intensities  146 
Zero-point energies  147 
Vibrational scaling factors  
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   127  
Dipole dipole x129x
Quadrupole quadrupole  87 
Polarizability polarizability  118 
Other results Spin   0  
Number of basis functions   24  
Diagnostics   4  
Conformations   1