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Experimental data for KOH (Potassium hydroxide)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/K.H2O/h;1H2/q+1;/p-1 KWYUFKZDYYNOTN-UHFFFAOYSA-M [K]O
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 -232.63   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 236.41   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

Calculated vibrational frequencies for KOH (Potassium hydroxide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.27381   NISTtriatomic

Calculated rotational constants for KOH (Potassium hydroxide).
Product of moments of inertia moments of inertia
61.56643amu Å2   1.022351E-38gm cm2
Geometric Data
picture of Potassium hydroxide

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
rOH 0.912   2 3 1973Pea/Tru:826
rOK 2.212   1 2 1973Pea/Tru:826
aHOK 180 1 2 3

Cartesians
Atom x (Å) y (Å) z (Å)
K1 0.0000 0.0000 2.2115
O2 0.0000 0.0000 0.0000
H3 0.0000 0.0000 -0.9120

Atom - Atom Distances bond lengths
Distances in Å
  K1 O2 H3
K1   2.21153.1235
O2 2.2115   0.9120
H3 3.12350.9120  

Calculated geometries for KOH (Potassium hydroxide).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle
K1 O2 H3 180.000

Bond descriptions


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

Connectivity
Atom 1 Atom 2
K1 O2
O2 H3
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
7.500 1.000     webbook

Proton Affinity (kJ mol-1)
Proton Affinity unc. Product reference comment
1101.8   KOH2+ 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           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 KOH (Potassium hydroxide).
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 KOH (Potassium hydroxide).

References
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squib reference DOI
1973Pea/Tru:826 EF Pearson, MB Trueblood "Millimeter wave spectra of potassium hydroxide: KOH and KOD" J. Chem. Phys. 58(2), 826, 1973 10.1063/1.1679281
NISTtriatomic NIST Triatomic Spectral Database (http://www.physics.nist.gov/PhysRefData/MolSpec/Triatomic/index.html) 10.18434/T4DW2S
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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