National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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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;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation      
Energy 0K   521  
Energy 298.15K   186  
Atomization Enthalpy 298.15K x170x
Atomization Enthalpy 0K  172 
Entropy (298.15K) entropy  159 
Entropy at any temperature   159  
Integrated Heat Capacity integrated heat capacity  159 
Heat Capacity (Cp) Heat capacity  159 
Nuclear Repulsion Energy   500  
HOMO-LUMO Energies HOMO energies   477  
Barriers to Internal Rotation internal rotation  275 
Geometries Cartesians  468  
Internal Coordinates bond lengths bond angles x468x
Products of moments of inertia moments of inertia  473 
Rotational Constants rotational constants  484 
Point Group  495 
Vibrations Vibrational Frequencies vibrations  13012 
Vibrational Intensities  491 
Zero-point energies  482 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Electronic States Electronic states x 0  
Electrostatics Atom charges   350  
Dipole dipole x420x
Quadrupole quadrupole  387 
Polarizability polarizability  338 
Other results Spin   0  
Number of basis functions   33  
Conformations   2 x
2015 06 10 17:36