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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   199  
Energy 298.15K   183  
Atomization Enthalpy 298.15K x178x
Atomization Enthalpy 0K  181 
Entropy (298.15K) entropy  168 
Entropy at any temperature   168  
Integrated Heat Capacity integrated heat capacity  167 
Heat Capacity (Cp) Heat capacity  167 
Nuclear Repulsion Energy   180  
HOMO-LUMO Energies HOMO energies   173  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  156  
Internal Coordinates bond lengths bond angles x156x
Products of moments of inertia moments of inertia  170 
Rotational Constants rotational constants  173 
Point Group  173 
Vibrations Vibrational Frequencies vibrations  174 
Vibrational Intensities  174 
Zero-point energies  174 
Vibrational scaling factors  
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   152  
Dipole dipole x152x
Quadrupole quadrupole  148 
Polarizability polarizability  133 
Other results Spin   0  
Number of basis functions   24  
Diagnostics   4  
Conformations   2 x