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

All data (experiment and calculated) in the CCCBDB for CH2CHOCHCH2 (Vinyl ether)

Other names
1,1'-Oxybisethene; Divinyl ether; Divinyl ether, inhibited; Divinyl oxide; Ethene, 1,1'-oxybis-; Ethenyloxyethene; Ether, divinyl; UN 1167; Vinyl Ether; Vinether; Vinidyl; Vinydan; Vinethen; Vinethene; Vinesthene; Vinesthesin; ether; (vinyloxy)ethene;
INChI
InChI=1/C4H6O/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   511  
Energy 298.15K   194  
Atomization Enthalpy 298.15K x178x
Atomization Enthalpy 0K  181 
Entropy (298.15K) entropy  167 
Entropy at any temperature   167  
Integrated Heat Capacity integrated heat capacity  167 
Heat Capacity (Cp) Heat capacity  167 
Nuclear Repulsion Energy   493  
HOMO-LUMO Energies HOMO energies   464  
Barriers to Internal Rotation internal rotation  11 
Geometries Cartesians  459  
Internal Coordinates bond lengths bond angles x459x
Products of moments of inertia moments of inertia  462 
Rotational Constants rotational constants  474 
Point Group  486 
Vibrations Vibrational Frequencies vibrations  473 
Vibrational Intensities  462 
Zero-point energies  473 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   344  
Dipole dipole x408x
Quadrupole quadrupole  377 
Polarizability polarizability  325 
Other results Spin   0  
Number of basis functions   34  
Diagnostics   4  
Conformations   2 x