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All data (experiment and calculated) in the CCCBDB for C2H4O (Ethylene oxide)

1907021335
Other names
α,β-Oxidoethane; 1,2-Epoxyethane; Dihydrooxirene; Dimethylene oxide; E.O.; Epoxyethane; Ethene oxide; Oxacyclopropane; Oxirane; Oxirene, Dihydro-; alpha,beta-Oxidoethane;
INChI
InChI=1S/C2H4O/c1-2-3-1/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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   711  
Energy 298.15K   101  
Atomization Enthalpy 298.15K x82x
Atomization Enthalpy 0K x82x
Entropy (298.15K) entropy x52x
Entropy at any temperature   52  
Integrated Heat Capacity integrated heat capacity x52x
Heat Capacity (Cp) Heat capacity x52x
Nuclear Repulsion Energy   671  
HOMO-LUMO Energies HOMO energies   597  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x640  
Internal Coordinates bond lengths bond angles x640x
Products of moments of inertia moments of inertia x643x
Rotational Constants rotational constants x652x
Point Group  653 
Vibrations Vibrational Frequencies vibrations fun. 637x
Vibrational Intensities  810 
Zero-point energies x637x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   419  
Electronic States Electronic states x 0  
Electrostatics Atom charges   382  
Dipole dipole x511x
Quadrupole quadrupole x418x
Polarizability polarizability x427x
Other results Spin   0  
Number of basis functions   68  
Conformations   1