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

All data (experiment and calculated) in the CCCBDB for C2H5 (Ethyl radical)

Other names
Ethyl radical; ethyl;
INChI
InChI=1/C2H5/c1-2/h1H2,2H3

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   283  
Energy 298.15K   271  
Atomization Enthalpy 298.15K x263x
Atomization Enthalpy 0K x268x
Entropy (298.15K) entropy x232x
Entropy at any temperature   232  
Integrated Heat Capacity integrated heat capacity x232x
Heat Capacity (Cp) Heat capacity x232x
Nuclear Repulsion Energy   235  
HOMO-LUMO Energies HOMO energies   224  
Barriers to Internal Rotation internal rotation  17 
Geometries Cartesians  193  
Internal Coordinates bond lengths bond angles  193 
Products of moments of inertia moments of inertia  210 
Rotational Constants rotational constants  214 
Point Group  217 
Vibrations Vibrational Frequencies vibrations x213x
Vibrational Intensities  201 
Zero-point energies  213 
Vibrational scaling factors  
Anharmonic frequencies and constants   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   179  
Dipole dipole  168 
Quadrupole quadrupole  165 
Polarizability polarizability  140 
Other results Spin   172  
Number of basis functions   32  
Diagnostics   6  
Conformations   1