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

1907021335
Other names
Butane α,δ-oxide; Butane, 1,4-epoxy-; Butylene Oxide; Cyclotetramethylene oxide; Diethylene oxide; Furan, tetrahydro-; Furanidine; Hydrofuran; Oxacyclopentane; Oxolane; Tetrahydrofuraan; Tetrahydrofuran; Tetrahydrofuranne; Tetraidrofurano; Tetramethylene oxide; THF;
INChI
InChI=1S/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   20  
Energy 298.15K   7  
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   15  
HOMO-LUMO Energies HOMO energies   15  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  15  
Internal Coordinates bond lengths bond angles x15x
Products of moments of inertia moments of inertia x15x
Rotational Constants rotational constants x15x
Point Group  17 
Vibrations Vibrational Frequencies vibrations fun. 15x
Vibrational Intensities  15 
Zero-point energies x15x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   10  
Electronic States Electronic states x 0  
Electrostatics Atom charges   15  
Dipole dipole x15x
Quadrupole quadrupole  13 
Polarizability polarizability x15x
Other results Spin   0  
Number of basis functions   0  
Conformations   2 x