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All data (experiment and calculated) in the CCCBDB for C2H4F2 (1,2-difluoroethane)

1907021335
Other names
Ethylene difluoride; Ethane, 1,2-difluoro-; FC143; Freon 152; 1,2-difluoroethane;
INChI
InChI=1S/C2H4F2/c3-1-2-4/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      
Enthalpy 0K enthalpy of formation      
Energy 0K   1267  
Energy 298.15K   40  
Atomization Enthalpy 298.15K  1 
Atomization Enthalpy 0K  1 
Entropy (298.15K) entropy  1 
Entropy at any temperature   1  
Integrated Heat Capacity integrated heat capacity  1 
Heat Capacity (Cp) Heat capacity  1 
Nuclear Repulsion Energy   1266  
HOMO-LUMO Energies HOMO energies   1101  
Barriers to Internal Rotation internal rotation  733 
Geometries Cartesians x1266  
Internal Coordinates bond lengths bond angles x1266x
Products of moments of inertia moments of inertia x1249x
Rotational Constants rotational constants x1266x
Point Group  1268 
Vibrations Vibrational Frequencies vibrations fun. 1225x
Vibrational Intensities  1266 
Zero-point energies  1225 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   688  
Electronic States Electronic states x 0  
Electrostatics Atom charges   726  
Dipole dipole x952x
Quadrupole quadrupole  792 
Polarizability polarizability  835 
Other results Spin   0  
Number of basis functions   72  
Conformations   2 x