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Experimental data for NaCl (Sodium Chloride)

Other names
Common salt; Halite; Hyposaline; Iodized salt; Natriumchlorid; Rock salt; Saline; Salt; Sea salt; Sodium chloric; Sodium Chloride; Sodium monochloride; Sterling; Table salt; USP sodium chloride;
INChI INChIKey SMILES IUPAC name
InChI=1S/ClH.Na/h1H;/q;+1/p-1 FAPWRFPIFSIZLT-UHFFFAOYSA-M [Na]Cl Sodium Chloride
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 -181.42 2.10 kJ mol-1 JANAF
Hfg(0K) enthalpy of formation -179.99 2.10 kJ mol-1 JANAF
Entropy (298.15K) entropy 229.79   J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 9.62   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 35.79   J K-1 mol-1 JANAF
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σ 365 2007Iri:389      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
364.6842 1.776085 0.0059369 0.218063 1.624788E-03 181.9709 2007Iri:389

vibrational zero-point energy: 182.3 cm-1
Calculated vibrational frequencies for NaCl (Sodium Chloride).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/NaCl.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.21806   2007Iri:389

Calculated rotational constants for NaCl (Sodium Chloride).
Product of moments of inertia moments of inertia
77.30624amu Å2   1.28372E-38gm cm2
Geometric Data
picture of Sodium Chloride

Point Group


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
rNaCl 2.361 0.000 1 2 NISTdiatomic re 23Na 35Cl

Cartesians
Atom x (Å) y (Å) z (Å)
Na1 0.0000 0.0000 0.0000
Cl2 0.0000 0.0000 2.3608

Atom - Atom Distances bond lengths
Distances in Å
  Na1 Cl2
Na1   2.3608
Cl2 2.3608  

Calculated geometries for NaCl (Sodium Chloride).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Na1 Cl2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1 1979HUB/HER 1Σ

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
9.200   9.800 0.040 webbook

Electron Affinity (eV)
Electron Affinity unc. reference
0.727 0.010 webbook
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Dipole (Debye) Reference comment
8.971 NISTdiatomic +-0.001

Calculated electric dipole moments for NaCl (Sodium Chloride).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for NaCl (Sodium Chloride).

References
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squib reference DOI
1979HUB/HER Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979 10.1007/978-1-4757-0961-2_2 
2007Iri:389 KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007 10.1063/1.2436891
JANAF Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.  
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

Got a better number? Please email us at cccbdb@nist.gov


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