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All data (experiment and calculated) in the CCCBDB for C5H10O (2H-Pyran, tetrahydro-)

1907021335
Other names
2H-Pyran, tetrahydro-; Oxacyclohexane; Oxane; Pentamethylene oxide; Tetrahydro-2H-pyran; Tetrahydropyran; THP;
INChI
InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2

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      
Energy 0K   218  
Energy 298.15K   214  
Atomization Enthalpy 298.15K x151x
Atomization Enthalpy 0K  152 
Entropy (298.15K) entropy  143 
Entropy at any temperature   143  
Integrated Heat Capacity integrated heat capacity  143 
Heat Capacity (Cp) Heat capacity x143x
Nuclear Repulsion Energy   206  
HOMO-LUMO Energies HOMO energies   205  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  184  
Internal Coordinates bond lengths bond angles x0x
Products of moments of inertia moments of inertia  202 
Rotational Constants rotational constants  207 
Point Group  208 
Vibrations Vibrational Frequencies vibrations  203 
Vibrational Intensities  213 
Zero-point energies  203 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   0  
Electronic States Electronic states x 0  
Electrostatics Atom charges   175  
Dipole dipole x184x
Quadrupole quadrupole  177 
Polarizability polarizability  164 
Other results Spin   0  
Number of basis functions   5  
Conformations   1