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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   276  
Energy 298.15K   242  
Atomization Enthalpy 298.15K x235x
Atomization Enthalpy 0K x235x
Entropy (298.15K) entropy x204x
Entropy at any temperature   204  
Integrated Heat Capacity integrated heat capacity x204x
Heat Capacity (Cp) Heat capacity x204x
Nuclear Repulsion Energy   240  
HOMO-LUMO Energies HOMO energies   232  
Barriers to Internal Rotation internal rotation  28 
Geometries Cartesians x202  
Internal Coordinates bond lengths bond angles x202x
Products of moments of inertia moments of inertia x215x
Rotational Constants rotational constants x220x
Point Group  220 
Vibrations Vibrational Frequencies vibrations x218x
Vibrational Intensities  209 
Zero-point energies  218 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   182  
Dipole dipole x178x
Quadrupole quadrupole  170 
Polarizability polarizability x152x
Other results Spin   0  
Number of basis functions   7  
Diagnostics   5  
Conformations   1