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

All data (experiment and calculated) in the CCCBDB for C2F4 (Tetrafluoroethylene)

Other names
1,1,2,2-Tetrafluoroethylene; Ethene, tetrafluoro-; Ethylene, tetrafluoro-; Fluoroplast 4; Perfluoroethene; Perfluoroethylene; Tetrafluorethylene; Tetrafluoroethene; Ethane, tetrafluoro-; Tetrafluoroethylene, inhibited; TFE; UN 1081;
INChI
InChI=1/C2F4/c3-1(4)2(5)6

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   213  
Energy 298.15K   188  
Atomization Enthalpy 298.15K x182x
Atomization Enthalpy 0K x182x
Entropy (298.15K) entropy x168x
Entropy at any temperature   168  
Integrated Heat Capacity integrated heat capacity x168x
Heat Capacity (Cp) Heat capacity x168x
Nuclear Repulsion Energy   190  
HOMO-LUMO Energies HOMO energies   183  
Barriers to Internal Rotation internal rotation  9 
Geometries Cartesians x161  
Internal Coordinates bond lengths bond angles x161x
Products of moments of inertia moments of inertia  181 
Rotational Constants rotational constants  186 
Point Group  187 
Vibrations Vibrational Frequencies vibrations x184x
Vibrational Intensities  183 
Zero-point energies x184x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   156  
Dipole dipole x159x
Quadrupole quadrupole  153 
Polarizability polarizability  138 
Other results Spin   2  
Number of basis functions   7  
Diagnostics   4  
Conformations   1