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

All data (experiment and calculated) in the CCCBDB for C4H9N (Cyclobutylamine)

Other names
Aminocyclobutane; Cyclobutanamine; Cyclobutylamine;
INChI
InChI=1/C4H9N/c5-4-2-1-3-4/h4H,1-3,5H2

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   208  
Energy 298.15K   178  
Atomization Enthalpy 298.15K x173x
Atomization Enthalpy 0K  177 
Entropy (298.15K) entropy  168 
Entropy at any temperature   168  
Integrated Heat Capacity integrated heat capacity  168 
Heat Capacity (Cp) Heat capacity  168 
Nuclear Repulsion Energy   200  
HOMO-LUMO Energies HOMO energies   194  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  172  
Internal Coordinates bond lengths bond angles  172 
Products of moments of inertia moments of inertia  189 
Rotational Constants rotational constants  194 
Point Group  194 
Vibrations Vibrational Frequencies vibrations x194x
Vibrational Intensities  193 
Zero-point energies  194 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   161  
Dipole dipole  163 
Quadrupole quadrupole  157 
Polarizability polarizability  140 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1