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

All data (experiment and calculated) in the CCCBDB for C2H3OC2H5 (Ethene, ethoxy-)

Other names
1-Ethoxyethene; 1-Ethoxyethylene; Ethene, ethoxy-; Ether, ethyl vinyl; Ether, ethyl vinyl (inhibited); Ether, vinyl ethyl; Ethoxyethene; Ethoxyethylene; Ethyl ethenyl ether; Ethyl vinyl ether; Ethyloxyethene; EVE; ether; UN 1302; Vinyl ethyl ether, inhibited; Vinamar; Vinyl Ethyl ether;
INChI
InChI=1/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3

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   200  
Energy 298.15K   172  
Atomization Enthalpy 298.15K x166x
Atomization Enthalpy 0K  173 
Entropy (298.15K) entropy  160 
Entropy at any temperature   160  
Integrated Heat Capacity integrated heat capacity  160 
Heat Capacity (Cp) Heat capacity  160 
Nuclear Repulsion Energy   191  
HOMO-LUMO Energies HOMO energies   186  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  166  
Internal Coordinates bond lengths bond angles  166 
Products of moments of inertia moments of inertia  180 
Rotational Constants rotational constants  184 
Point Group  185 
Vibrations Vibrational Frequencies vibrations  185 
Vibrational Intensities  185 
Zero-point energies  185 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   157  
Dipole dipole  160 
Quadrupole quadrupole  155 
Polarizability polarizability  137 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1