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All data (experiment and calculated) in the CCCBDB for N(CH3)3 (Trimethylamine)

1907021335
Other names
Methanamine, N,N-dimethyl-; Methylamine, N,N-dimethyl-; TMA; Trimethylamine;
INChI
InChI=1S/C3H9N/c1-4(2)3/h1-3H3

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   297  
Energy 298.15K   285  
Atomization Enthalpy 298.15K x195x
Atomization Enthalpy 0K  195 
Entropy (298.15K) entropy x170x
Entropy at any temperature   170  
Integrated Heat Capacity integrated heat capacity  170 
Heat Capacity (Cp) Heat capacity  170 
Nuclear Repulsion Energy   257  
HOMO-LUMO Energies HOMO energies   257  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x230  
Internal Coordinates bond lengths bond angles x229x
Products of moments of inertia moments of inertia  249 
Rotational Constants rotational constants  254 
Point Group  254 
Vibrations Vibrational Frequencies vibrations fun. 246x
Vibrational Intensities  265 
Zero-point energies x246x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   198  
Dipole dipole x223x
Quadrupole quadrupole  206 
Polarizability polarizability x190x
Other results Spin   0  
Number of basis functions   6  
Conformations   1