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All data (experiment and calculated) in the CCCBDB for CH3CH2O (Ethoxy radical)

1907021335
INChI
InChI=1S/C2H5O/c1-2-3/h2H2,1H3

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   317  
Energy 298.15K   134  
Atomization Enthalpy 298.15K x0x
Atomization Enthalpy 0K x0x
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity x0x
Heat Capacity (Cp) Heat capacity x0x
Nuclear Repulsion Energy   312  
HOMO-LUMO Energies HOMO energies   312  
Barriers to Internal Rotation internal rotation  275 
Geometries Cartesians  312  
Internal Coordinates bond lengths bond angles x310x
Products of moments of inertia moments of inertia  298 
Rotational Constants rotational constants  304 
Point Group  316 
Vibrations Vibrational Frequencies vibrations  302 
Vibrational Intensities  284 
Zero-point energies  302 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   197  
Dipole dipole  202 
Quadrupole quadrupole  197 
Polarizability polarizability  235 
Other results Spin   314  
Number of basis functions   29  
Conformations   1