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

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

Other names
Ethanamine, N,N-diethyl-; (Diethylamino)ethane; UN 1296; 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   250  
Energy 298.15K   10  
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   251  
HOMO-LUMO Energies HOMO energies   251  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  249  
Internal Coordinates bond lengths bond angles  249 
Products of moments of inertia moments of inertia  241 
Rotational Constants rotational constants  249 
Point Group  252 
Vibrations Vibrational Frequencies vibrations  244 
Vibrational Intensities  244 
Zero-point energies  244 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   170  
Dipole dipole  226 
Quadrupole quadrupole  202 
Polarizability polarizability  170 
Other results Spin   0  
Number of basis functions   27  
Diagnostics   0  
Conformations   1