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Experimental data for IBr (Iodine monobromide)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/BrI/c1-2 CBEQRNSPHCCXSH-UHFFFAOYSA-N IBr
State Conformation
1Σ C*V
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 40.88   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 258.95   J K-1 mol-1 webbook
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
1 Σ 267 269 webbook      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
268.64 0.814 0.0568325 0.0001969 webbook

vibrational zero-point energy: 133.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for IBr (Iodine monobromide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.05683   webbook

Calculated rotational constants for IBr (Iodine monobromide).
Product of moments of inertia moments of inertia
296.6195amu Å2   4.92556E-38gm cm2
Geometric Data
picture of Iodine monobromide

Point Group C∞v

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