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All data (experiment and calculated) in the CCCBDB for C6H15N (triethylamine)

1907021335
Other names
Ethanamine, N,N-diethyl-; (Diethylamino)ethane; N,N-Diethylethanamine; Triaethylamin;
INChI
InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3

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   278  
Energy 298.15K   262  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   276  
HOMO-LUMO Energies HOMO energies   273  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  277  
Internal Coordinates bond lengths bond angles  277 
Products of moments of inertia moments of inertia  269 
Rotational Constants rotational constants  277 
Point Group  280 
Vibrations Vibrational Frequencies vibrations  268 
Vibrational Intensities  271 
Zero-point energies  268 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   195  
Dipole dipole x253x
Quadrupole quadrupole  227 
Polarizability polarizability x228x
Other results Spin   0  
Number of basis functions   26  
Conformations   1