National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

NIST policy on privacy, security, and accessibility.

Please rate our products
© 2013 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.

Please send questions, comments, corrections, additions and suggestions to

return to home page

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;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   218  
Energy 298.15K   182  
Atomization Enthalpy 298.15K x176x
Atomization Enthalpy 0K x175x
Entropy (298.15K) entropy x162x
Entropy at any temperature   162  
Integrated Heat Capacity integrated heat capacity x162x
Heat Capacity (Cp) Heat capacity x162x
Nuclear Repulsion Energy   193  
HOMO-LUMO Energies HOMO energies   187  
Barriers to Internal Rotation internal rotation  225 
Geometries Cartesians x165  
Internal Coordinates bond lengths bond angles x165x
Products of moments of inertia moments of inertia  186 
Rotational Constants rotational constants  190 
Point Group  191 
Vibrations Vibrational Frequencies vibrations x2256x
Vibrational Intensities  198 
Zero-point energies x188x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Electronic States Electronic states x 0  
Electrostatics Atom charges   154  
Dipole dipole x164x
Quadrupole quadrupole  158 
Polarizability polarizability  144 
Other results Spin   2  
Number of basis functions   7  
Conformations   1  
2015 06 10 17:36