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

All data (experiment and calculated) in the CCCBDB for C5H8O (2H-Pyran, 3,4-dihydro-)

Other names
2,3-Dihydro-4H-pyran; δ(Sup2)-Dihydropyran; δ2-Dihydropyran; 2H-3,4-Dihydropyran; 2H-Pyran, 3,4-dihydro-; 2,3-Dihydropyran; 3,4-Dihdro-2H-pyrane; 3,4-Dihydro-1H-pyran; 3,4-Dihydro-2H-pyran; 3,4-Dihydro-2-pyran; 3,4-Dihydropyran; 5,6-Dihydro-4H-pyran; Dihydropyran; Pyran, dihydro-; delta 2-Dihydropyran; delta2-Dihydropyran;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation      
Energy 0K   192  
Energy 298.15K   165  
Atomization Enthalpy 298.15K x159x
Atomization Enthalpy 0K  163 
Entropy (298.15K) entropy  152 
Entropy at any temperature   152  
Integrated Heat Capacity integrated heat capacity  152 
Heat Capacity (Cp) Heat capacity x152x
Nuclear Repulsion Energy   186  
HOMO-LUMO Energies HOMO energies   178  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  159  
Internal Coordinates bond lengths bond angles x159x
Products of moments of inertia moments of inertia  174 
Rotational Constants rotational constants  179 
Point Group  183 
Vibrations Vibrational Frequencies vibrations  177 
Vibrational Intensities  176 
Zero-point energies  177 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   155  
Dipole dipole  157 
Quadrupole quadrupole  152 
Polarizability polarizability  134 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1