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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   230  
Energy 298.15K   215  
Atomization Enthalpy 298.15K x209x
Atomization Enthalpy 0K  210 
Entropy (298.15K) entropy x184x
Entropy at any temperature   184  
Integrated Heat Capacity integrated heat capacity  183 
Heat Capacity (Cp) Heat capacity  183 
Nuclear Repulsion Energy   196  
HOMO-LUMO Energies HOMO energies   189  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x166  
Internal Coordinates bond lengths bond angles x166x
Products of moments of inertia moments of inertia  182 
Rotational Constants rotational constants  186 
Point Group  187 
Vibrations Vibrational Frequencies vibrations x185x
Vibrational Intensities  184 
Zero-point energies x185x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Electronic States Electronic states x 0  
Electrostatics Atom charges   157  
Dipole dipole x157x
Quadrupole quadrupole  151 
Polarizability polarizability x136x
Other results Spin   0  
Number of basis functions   28  
Diagnostics   5  
Conformations   1