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

All data (experiment and calculated) in the CCCBDB for CH3NHCH3 (Dimethylamine)

Other names
Dimethylamine; DMA; Methanamine, N-methyl-; N-Methylmethanamine; Rcra waste number U092; UN 1032; UN 1160; N-Methylmethanamine;
INChI
InChI=1/C2H7N/c1-3-2/h3H,1-2H3

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 x    
Energy 0K   255  
Energy 298.15K   241  
Atomization Enthalpy 298.15K x235x
Atomization Enthalpy 0K x235x
Entropy (298.15K) entropy x205x
Entropy at any temperature   205  
Integrated Heat Capacity integrated heat capacity x204x
Heat Capacity (Cp) Heat capacity x204x
Nuclear Repulsion Energy   219  
HOMO-LUMO Energies HOMO energies   210  
Barriers to Internal Rotation internal rotation  28 
Geometries Cartesians x182  
Internal Coordinates bond lengths bond angles x182x
Products of moments of inertia moments of inertia x195x
Rotational Constants rotational constants x199x
Point Group  199 
Vibrations Vibrational Frequencies vibrations x199x
Vibrational Intensities  190 
Zero-point energies  199 
Vibrational scaling factors  
Anharmonic frequencies and constants   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   172  
Dipole dipole x163x
Quadrupole quadrupole  157 
Polarizability polarizability x142x
Other results Spin   0  
Number of basis functions   29  
Diagnostics   5  
Conformations   1