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All data (experiment and calculated) in the CCCBDB for C2H4 (Ethylene)

1907021335
Other names
Acetene; Athylen; Bicarburretted hydrogen; Elayl; Ethene; Ethylene; Liquid ethyene; Olefiant gas;
INChI
InChI=1S/C2H4/c1-2/h1-2H2

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 x    
Energy 0K   1053  
Energy 298.15K   1014  
Atomization Enthalpy 298.15K x48x
Atomization Enthalpy 0K x53x
Entropy (298.15K) entropy x21x
Entropy at any temperature   21  
Integrated Heat Capacity integrated heat capacity x21x
Heat Capacity (Cp) Heat capacity x21x
Nuclear Repulsion Energy   1033  
HOMO-LUMO Energies HOMO energies   968  
Barriers to Internal Rotation internal rotation  275 
Geometries Cartesians x990  
Internal Coordinates bond lengths bond angles x990x
Products of moments of inertia moments of inertia x996x
Rotational Constants rotational constants x1004x
Point Group  1034 
Vibrations Vibrational Frequencies vibrations fun. 1003x
Vibrational Intensities  1367 
Zero-point energies x1003x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   422  
Electronic States Electronic states x 6  
Electrostatics Atom charges   531  
Dipole dipole x633x
Quadrupole quadrupole x553x
Polarizability polarizability x619x
Other results Spin   6  
Number of basis functions   165  
Conformations   1