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Experimental data for C(CH3)3NH2 (2-Propanamine, 2-methyl-)

22 02 02 11 45
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 INChIKey SMILES IUPAC name
InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3 YBRBMKDOPFTVDT-UHFFFAOYSA-N CC(N)(C)C 2-methylpropan-2-amine
State Conformation
1A C1
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation -120.70 0.84 kJ mol-1 TRC
Hfg(0K) enthalpy of formation -87.05 0.84 kJ mol-1 TRC
Entropy (298.15K) entropy 328.06   J K-1 mol-1 TRC
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 21.46   kJ mol-1 TRC
Heat Capacity (298.15K) heat capacity 120.92   J K-1 mol-1 TRC
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference

Calculated vibrational frequencies for C(CH3)3NH2 (2-Propanamine, 2-methyl-).
Gas-phase IR spectra can be found in the NIST Chemistry Webbook here.
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for C(CH3)3NH2 (2-Propanamine, 2-methyl-).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of 2-Propanamine, 2-methyl-

Point Group C1


Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCN 1.492   1 12 1992Kuchitsu(II/21)
rCC 1.532   4 12 1992Kuchitsu(II/21) average
rCH 1.115   4 5 1992Kuchitsu(II/21) average
rNH 1.048   1 2 1992Kuchitsu(II/21)
aCCC 110.1 4 12 8 1992Kuchitsu(II/21) average
aHCH 108 5 4 6 1992Kuchitsu(II/21) average
aHNC 109.9 2 1 12 1992Kuchitsu(II/21)
aHNH 105.2 2 1 3 1992Kuchitsu(II/21) !assumed

These cartesians were determined using some assumed coordinate values. Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for C(CH3)3NH2 (2-Propanamine, 2-methyl-).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 9
H-N 2
C-C 3
C-N 1
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