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All data (experiment and calculated) in the CCCBDB for C4H8O2 (Ethene, 1,1-dimethoxy-)

1907021335
Other names
Ethene, 1,1-dimethoxy-; 1,1-dimethoxyethene;
INChI
InChI=1S/C4H8O2/c1-4(5-2)6-3/h1H2,2-3H3

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   216  
Energy 298.15K   207  
Atomization Enthalpy 298.15K x150x
Atomization Enthalpy 0K  150 
Entropy (298.15K) entropy  142 
Entropy at any temperature   142  
Integrated Heat Capacity integrated heat capacity  142 
Heat Capacity (Cp) Heat capacity  142 
Nuclear Repulsion Energy   203  
HOMO-LUMO Energies HOMO energies   203  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  181  
Internal Coordinates bond lengths bond angles  180 
Products of moments of inertia moments of inertia  200 
Rotational Constants rotational constants  204 
Point Group  205 
Vibrations Vibrational Frequencies vibrations  199 
Vibrational Intensities  209 
Zero-point energies  199 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   178  
Dipole dipole  184 
Quadrupole quadrupole  175 
Polarizability polarizability  165 
Other results Spin   0  
Number of basis functions   5  
Conformations   1