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All data (experiment and calculated) in the CCCBDB for CH2CHF (Ethene, fluoro-)

1907021335
Other names
Ethene, fluoro-; Ethylene, fluoro-; Fluoroethene; Fluoroethylene; Monofluoroethylene; Vinyl fluoride, inhibited; Vinyl fluoride;
INChI
InChI=1S/C2H3F/c1-2-3/h2H,1H2

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   692  
Energy 298.15K   62  
Atomization Enthalpy 298.15K x47x
Atomization Enthalpy 0K x47x
Entropy (298.15K) entropy x19x
Entropy at any temperature   19  
Integrated Heat Capacity integrated heat capacity x19x
Heat Capacity (Cp) Heat capacity x19x
Nuclear Repulsion Energy   660  
HOMO-LUMO Energies HOMO energies   566  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x621  
Internal Coordinates bond lengths bond angles x621x
Products of moments of inertia moments of inertia x622x
Rotational Constants rotational constants x632x
Point Group  658 
Vibrations Vibrational Frequencies vibrations fun. 617x
Vibrational Intensities  801 
Zero-point energies x617x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   417  
Electronic States Electronic states x 0  
Electrostatics Atom charges   413  
Dipole dipole x526x
Quadrupole quadrupole x448x
Polarizability polarizability  439 
Other results Spin   0  
Number of basis functions   39  
Conformations   1