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Experimental data for CH3CHBrCH3 (i-propyl bromide)

22 02 02 11 45
Other names
Isopropyl bromide; Propane, 2-bromo-; 2-Bromopropane; sec-Propyl bromide;
INChI INChIKey SMILES IUPAC name
InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3 NAMYKGVDVNBCFQ-UHFFFAOYSA-N CC(C)Br 2-Bromopropane
State Conformation
1A' CS
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
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 CH3CHBrCH3 (i-propyl bromide).
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 CH3CHBrCH3 (i-propyl bromide).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of i-propyl bromide

Point Group Cs


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

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for CH3CHBrCH3 (i-propyl bromide). An error occurred on the server when processing the URL. Please contact the system administrator.

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