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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   183  
Energy 298.15K   169  
Atomization Enthalpy 298.15K x167x
Atomization Enthalpy 0K x172x
Entropy (298.15K) entropy x164x
Entropy at any temperature   164  
Integrated Heat Capacity integrated heat capacity x163x
Heat Capacity (Cp) Heat capacity x162x
Nuclear Repulsion Energy   177  
HOMO-LUMO Energies HOMO energies   169  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  152  
Internal Coordinates bond lengths bond angles x152x
Products of moments of inertia moments of inertia  166 
Rotational Constants rotational constants  170 
Point Group  171 
Vibrations Vibrational Frequencies vibrations  172 
Vibrational Intensities  171 
Zero-point energies  172 
Vibrational scaling factors  
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   148  
Dipole dipole  150 
Quadrupole quadrupole  147 
Polarizability polarizability  130 
Other results Spin   0  
Number of basis functions   24  
Diagnostics   4  
Conformations   1