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

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

Other names
Methanamine, N,N-dimethyl-; Methylamine, N,N-dimethyl-; TMA; Trimethylamine; UN 1083; UN 1297;
INChI
InChI=1/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   251  
Energy 298.15K   216  
Atomization Enthalpy 298.15K x209x
Atomization Enthalpy 0K  210 
Entropy (298.15K) entropy x183x
Entropy at any temperature   183  
Integrated Heat Capacity integrated heat capacity  183 
Heat Capacity (Cp) Heat capacity  183 
Nuclear Repulsion Energy   217  
HOMO-LUMO Energies HOMO energies   211  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x186  
Internal Coordinates bond lengths bond angles x186x
Products of moments of inertia moments of inertia  202 
Rotational Constants rotational constants  207 
Point Group  208 
Vibrations Vibrational Frequencies vibrations x205x
Vibrational Intensities  204 
Zero-point energies x205x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   167  
Dipole dipole x172x
Quadrupole quadrupole  164 
Polarizability polarizability x146x
Other results Spin   0  
Number of basis functions   7  
Diagnostics   5  
Conformations   1