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

All data (experiment and calculated) in the CCCBDB for C4H8O (Furan, tetrahydro-)

Other names
Butane α,δ-oxide; Butane, 1,4-epoxy-; Butylene Oxide; Cyclotetramethylene oxide; Diethylene oxide; Furan, tetrahydro-; Furanidine; Hydrofuran; NCI-C60560; Oxacyclopentane; Oxolane; Rcra waste number U213; Tetrahydrofuraan; Tetrahydrofuran; Tetrahydrofuranne; Tetraidrofurano; Tetramethylene oxide; THF; UN 2056;
INChI
InChI=1/C4H8O/c1-2-4-5-3-1/h1-4H2

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   244  
Energy 298.15K   212  
Atomization Enthalpy 298.15K x196x
Atomization Enthalpy 0K x199x
Entropy (298.15K) entropy x192x
Entropy at any temperature   192  
Integrated Heat Capacity integrated heat capacity x192x
Heat Capacity (Cp) Heat capacity x192x
Nuclear Repulsion Energy   225  
HOMO-LUMO Energies HOMO energies   223  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  202  
Internal Coordinates bond lengths bond angles x202x
Products of moments of inertia moments of inertia x218x
Rotational Constants rotational constants x222x
Point Group  223 
Vibrations Vibrational Frequencies vibrations x217x
Vibrational Intensities  217 
Zero-point energies x217x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   160  
Dipole dipole x165x
Quadrupole quadrupole  158 
Polarizability polarizability  142 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1