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

All data (experiment and calculated) in the CCCBDB for C(CH3)3NH2 (2-Propanamine, 2-methyl-)

Other names
1,1-Dimethylethylamine; 2-Methyl-2-aminopropane; 2-Methyl-2-propanamine; 2-Methyl-2-propylamine; 2-Amino-2-Methylpropane; 2-Aminoisobutane; 2-Propanamine, 2-methyl-; Butylamine, tert; Butylamine, tertiary; t-Butylamine; tert-Butylamine; tert-C4H9NH2; Trimethylaminomethane; 2-methylpropan-2-amine;
INChI
InChI=1/C4H11N/c1-4(2,3)5/h5H2,1-3H3

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 x    
Energy 0K   200  
Energy 298.15K   170  
Atomization Enthalpy 298.15K x167x
Atomization Enthalpy 0K x172x
Entropy (298.15K) entropy x163x
Entropy at any temperature   163  
Integrated Heat Capacity integrated heat capacity x163x
Heat Capacity (Cp) Heat capacity x162x
Nuclear Repulsion Energy   194  
HOMO-LUMO Energies HOMO energies   187  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  168  
Internal Coordinates bond lengths bond angles x168x
Products of moments of inertia moments of inertia  182 
Rotational Constants rotational constants  187 
Point Group  188 
Vibrations Vibrational Frequencies vibrations  187 
Vibrational Intensities  186 
Zero-point energies  187 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   158  
Dipole dipole  161 
Quadrupole quadrupole  156 
Polarizability polarizability  140 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1