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Experimental data for KCl (Potassium Chloride)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/ClH.K/h1H;/q;+1/p-1 WCUXLLCKKVVCTQ-UHFFFAOYSA-M [K]Cl
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 -214.68   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 239.09   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 278 281 webbook      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
281 1.3 0.1286348 0.0007899 webbook

vibrational zero-point energy: 139.2 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for KCl (Potassium Chloride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.12863 0.12863 NISTdiatomic

Calculated rotational constants for KCl (Potassium Chloride).
Product of moments of inertia moments of inertia
131.0505amu Å2   2.176178E-38gm cm2
Geometric Data
picture of Potassium Chloride

Point Group C∞v


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
rKCl 2.667 0.000 1 2 NISTdiatomic re

Cartesians
Atom x (Å) y (Å) z (Å)
K1 0.0000 0.0000 0.0000
Cl2 0.0000 0.0000 2.6667

Atom - Atom Distances bond lengths
Distances in Å
  K1 Cl2
K1   2.6667
Cl2 2.6667  

Calculated geometries for KCl (Potassium Chloride).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Cl-K 1

Connectivity
Atom 1 Atom 2
K1 Cl2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1Σ

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
10.500       webbook
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 1Σ C∞v True     10.239 10.239 NISTdiatomic   C∞v 1 1
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for KCl (Potassium Chloride).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 1Σ C∞v True       C∞v 1 1

Calculated electric quadrupole moments for KCl (Potassium Chloride).

References
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squib reference DOI
NISTdiatomic NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html) 10.18434/T4T59X
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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