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

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

Other names
Acetene; Athylen; Bicarburretted hydrogen; Elayl; Ethene; Ethylene; Liquid ethyene; Olefiant gas; UN 1038; UN 1962;
INChI
InChI=1/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   890  
Energy 298.15K   275  
Atomization Enthalpy 298.15K x267x
Atomization Enthalpy 0K x273x
Entropy (298.15K) entropy x233x
Entropy at any temperature   233  
Integrated Heat Capacity integrated heat capacity x233x
Heat Capacity (Cp) Heat capacity x233x
Nuclear Repulsion Energy   840  
HOMO-LUMO Energies HOMO energies   821  
Barriers to Internal Rotation internal rotation  11 
Geometries Cartesians x795  
Internal Coordinates bond lengths bond angles x795x
Products of moments of inertia moments of inertia x814x
Rotational Constants rotational constants x819x
Point Group  822 
Vibrations Vibrational Frequencies vibrations x817x
Vibrational Intensities  674 
Zero-point energies x817x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   420  
Dipole dipole x476x
Quadrupole quadrupole x432x
Polarizability polarizability x395x
Other results Spin   4  
Number of basis functions   14  
Diagnostics   6  
Conformations   1