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

1907021335
Other names
1,1'-Oxybisethene; Divinyl ether; Divinyl ether, inhibited; Divinyl oxide; Ethene, 1,1'-oxybis-; Ethenyloxyethene; Ether, divinyl; Vinyl Ether; Vinether; Vinidyl; Vinydan; Vinethen; Vinethene; Vinesthene; Vinesthesin; ether; (vinyloxy)ethene;
INChI
InChI=1S/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   559  
Energy 298.15K   527  
Atomization Enthalpy 298.15K x164x
Atomization Enthalpy 0K  166 
Entropy (298.15K) entropy  154 
Entropy at any temperature   154  
Integrated Heat Capacity integrated heat capacity  154 
Heat Capacity (Cp) Heat capacity  154 
Nuclear Repulsion Energy   533  
HOMO-LUMO Energies HOMO energies   515  
Barriers to Internal Rotation internal rotation  275 
Geometries Cartesians  505  
Internal Coordinates bond lengths bond angles x503x
Products of moments of inertia moments of inertia x511x
Rotational Constants rotational constants  523 
Point Group  535 
Vibrations Vibrational Frequencies vibrations fun. 518x
Vibrational Intensities  535 
Zero-point energies x518x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   10  
Electronic States Electronic states x 0  
Electrostatics Atom charges   387  
Dipole dipole x458x
Quadrupole quadrupole  422 
Polarizability polarizability  380 
Other results Spin   0  
Number of basis functions   7  
Conformations   2 x