sodium chloride

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Quantity Value Units Method Reference Comment
Δfgas-181.42kJ/molReviewChase, 1998Data last reviewed in September, 1964
Quantity Value Units Method Reference Comment
gas,1 bar229.79J/mol*KReviewChase, 1998Data last reviewed in September, 1964

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 2500. to 6000.
A 37.29885
B 0.792454
C -0.027018
D 0.002313
E -0.157114
F -193.1004
G 273.8077
H -181.4182
ReferenceChase, 1998
Comment Data last reviewed in September, 1964

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Quantity Value Units Method Reference Comment
Δfliquid-385.92kJ/molReviewChase, 1998Data last reviewed in September, 1964
Quantity Value Units Method Reference Comment
liquid,1 bar95.06J/mol*KReviewChase, 1998Data last reviewed in September, 1964
Quantity Value Units Method Reference Comment
Δfsolid-411.12kJ/molReviewChase, 1998Data last reviewed in September, 1964
Quantity Value Units Method Reference Comment
solid72.11J/mol*KReviewChase, 1998Data last reviewed in September, 1964

Liquid Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 1074. to 2500.
A -42.44780
B 113.5260
C -43.64660
D 5.896630
E 39.13860
F -305.5610
G 91.06390
H -385.9230
ReferenceChase, 1998
Comment Data last reviewed in September, 1964

Solid Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1073.
A 50.72389
B 6.672267
C -2.517167
D 10.15934
E -0.200675
F -427.2115
G 130.3973
H -411.1203
ReferenceChase, 1998
Comment Data last reviewed in September, 1964

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
859.99 to 1239.993.566825200.904-317.409Ewing and Stern, 1974Coefficents calculated by NIST from author's data.
1138. to 1738.5.071848388.497-82.638Stull, 1947Coefficents calculated by NIST from author's data.

Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões

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Individual Reactions

4sodium + Ethene, chlorotrifluoro- = 2carbon + sodium chloride + 3sodium fluoride

By formula: 4Na + C2ClF3 = 2C + ClNa + 3FNa

Quantity Value Units Method Reference Comment
Δr-1576.1 ± 5.4kJ/molCmKolesov, Zenkov, et al., 1963gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -1543. ± 5.4 kJ/mol; ALS

Sodium ion (1+) + sodium chloride = (Sodium ion (1+) • sodium chloride)

By formula: Na+ + ClNa = (Na+ • ClNa)

Quantity Value Units Method Reference Comment
Δr177.kJ/molMSChupka, 1959gas phase; Knudsen cell; M
Quantity Value Units Method Reference Comment
Δr73.6J/mol*KMSChupka, 1959gas phase; Knudsen cell; M

3Sodium hydroxide + Carbonochloridic acid, ethyl ester = CNa2O3 + Ethanol + sodium chloride + Water

By formula: 3HNaO + C3H5ClO2 = CNa2O3 + C2H6O + ClNa + H2O

Quantity Value Units Method Reference Comment
Δr-323.3 ± 1.7kJ/molCmDavies, Finch, et al., 1980liquid phase; Heat of hydrolysis; ALS

2Sodium hydroxide + Cyanogen chloride = sodium chloride + Water + CNO.Na

By formula: 2HNaO + CClN = ClNa + H2O + CNO.Na

Quantity Value Units Method Reference Comment
Δr-277.5 ± 0.4kJ/molCmLord and Woolf, 1954solid phase; Heat of Hydrolysis; ALS

C6H5NaO (cr) + (Hydrogen chloride • 552Water) (solution) = Phenol (cr) + sodium chloride (cr)

By formula: C6H5NaO (cr) + (HCl • 552H2O) (solution) = C6H6O (cr) + ClNa (cr)

Quantity Value Units Method Reference Comment
Δr-78.0 ± 5.7kJ/molRSCLeal, Pires de Matos, et al., 1991MS

sodium methanolate (cr) + (Hydrogen chloride • 552Water) (solution) = Methyl Alcohol (l) + sodium chloride (cr)

By formula: CH3NaO (cr) + (HCl • 552H2O) (solution) = CH4O (l) + ClNa (cr)

Quantity Value Units Method Reference Comment
Δr-108.0 ± 3.1kJ/molRSCLeal, Pires de Matos, et al., 1991MS

IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Timothy J. Johnson, Tanya L. Myers, Yin-Fong Su, Russell G. Tonkyn, Molly Rose K. Kelly-Gorham, and Tyler O. Danby

Condensed Phase Spectrum

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IR spectrum
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Additional Data

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Owner Public domain
Origin Pacific Northwest National Laboratory Under IARPA Contract
Date March 2017
State solid
Instrument Bruker Tensor 37 FTIR
Aperture 6 mm
External diffuse reflectance accessory A 562-G integrating sphere
Beam splitter Ge on KBr
Diameter of detector port in sphere 2×2 mm, 60° field of view MCT
Sphere diameter 75 mm
Acquisition mode double-sided, forward-backward
Scanner velocity 40 kHz
Co-added scans 2048
Phase resolution 32.00
Phase correction Mertz
Zero filling
Spectral range 7,500 to 600 cm-1 saved; 7500 to 600 cm-1 reported
Resolution 0.96450084
Spectral resolution 4 cm-1
Wavenumber accuracy ± 0.4 cm-1
Apodization function Blackman-Harris 3-term
Low-pass filter Open
Switch gain on 512 points

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through March, 1977

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for 23Na35Cl
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
Continuous absorption above ~34000 cm-1 with maxima at (38500) and 42000 1 cm-1. 2
A 3           A ↔ X 
Levi, 1934
X 1Σ+ 0 366 4 (Z) (2.05)  0.21806309 0.00162482 5.14E-6 3.1202E-7 5 -8.3E-10 2.360795 6  
Rice and Klemperer, 1957
Rotation sp.
Stitch, Honig, et al., 1952; Honig, Mandel, et al., 1954; Clouser and Gordy, 1964
Mol. beam electric 7
Hebert, Lovas, et al., 1968; Cederberg and Miller, 1969; de Leeuw, van Wachem, et al., 1970
and magnetic reson.
Nierenberg and Ramsey, 1947; Zeiger and Bolef, 1952; Logan, Cote, et al., 1952; Cote and Kusch, 1953; Ochs, Cote, et al., 1953

Notes

1Also observed in the electron energy loss spectrum Geiger and Pfeiffer, 1968 which has additional peaks at 7.1, 9.6, (20.5), 31.5 eV.
2UV absorption cross sections Davidovits and Brodhead, 1967.
3Diffuse bands are seen Levi, 1934 in absorption from 33000 to 27000 cm-1; the emission from 33000 to 18000 cm-1 appears to be continuous.
4From the IR spectrum Rice and Klemperer, 1957. The Dunham relations applied to the microwave results of Clouser and Gordy, 1964 give ωe = 364.60 Clouser and Gordy, 1964, ωexe = 1.76 Clouser and Gordy, 1964. In argon matrix ΔG(1/2) = 335 Ismail, Hauge, et al., 1975.
5He = -3.40E-14.
6Rot.-vibr. sp. 10
7μel[D] = 8.97141 + 0.05940(v+1/2) + 0.00025(v+1/2)2, v≤3 Hebert, Lovas, et al., 1968, de Leeuw, van Wachem, et al., 1970. For electric quadrupole coupling constants and their dependence on v see Cederberg and Miller, 1969, de Leeuw, van Wachem, et al., 1970; earlier results by the magnetic resonance method.
8Thermochemical value [ Brewer and Brackett, 1961,21, flame photometry Gurvich and Veits, 1957, Gurvich and Veits, 1958, Bulewicz, Phillips, et al., 1961].
9Adiabatic potential from the onset of a broad photoelectron peak with maximum at 9.34 eV Potts, Williams, et al., 1974; not corrected for thermal population of ground state levels.
10For IR spectrum of matrix isolated sodium chloride see Ismail, Hauge, et al., 1975.
11From D00(NaCl)+I.P.(Na)-I.P.(NaCl); Potts, Williams, et al., 1974 suggest 0.33 eV using a corrected value for I.P.(NaCl).
12From band maxima in the photoelectron spectrum Goodman, Allen, et al., 1974, Potts, Williams, et al., 1974.
13From D00(NaCl) and the electron affinities of NaCl and Cl.
14Estimated electron affinity Jordan, 1976.

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Constants of diatomic molecules, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Ewing and Stern, 1974
Ewing, C.T.; Stern, K.H., Equilibrium Vaporization Rates and Vapor Pressures of Solid and Liquid Sodium Chloride, Potassium Chloride, Potassium Bromide, Cesium Iodide, and Lithium Fluoride, J. Phys. Chem., 1974, 78, 20, 1998-2005, https://doi.org/10.1021/j100613a005 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Kolesov, Zenkov, et al., 1963
Kolesov, V.P.; Zenkov, I.D.; Skuratov, S.M., Standard enthalpy of formation of chlorotrifluoroethylene, Russ. J. Phys. Chem. (Engl. Transl.), 1963, 37, 115-116. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Chupka, 1959
Chupka, W.A., Dissociation Energies of Some Gaseous Halide Complex Ions and the Hydrated Ion K(H2O)+, J. Chem. Phys., 1959, 40, 2, 458, https://doi.org/10.1063/1.1729974 . [all data]

Davies, Finch, et al., 1980
Davies, R.H.; Finch, A.; Gardner, P.J., The standard enthalpy of formation of liquid and gaseous ethylchloroformate (C3H5O2Cl), J. Chem. Thermodyn., 1980, 12, 291-296. [all data]

Lord and Woolf, 1954
Lord, G.; Woolf, A.A., The cyanogen halides. Part III. Their heats of formation and free energies, J. Chem. Soc., 1954, 2546-2551. [all data]

Leal, Pires de Matos, et al., 1991
Leal, J.P.; Pires de Matos, A.; Martinho Simões, J.A., J. Organometal. Chem., 1991, 403, 1. [all data]

Levi, 1934
Levi, Dissertation, Berlin, 1934, 0. [all data]

Rice and Klemperer, 1957
Rice, S.A.; Klemperer, W., Spectra of the alkali halides. II. The infrared spectra of the sodium and potassium halides, RbCl, and CsCl, J. Chem. Phys., 1957, 27, 573. [all data]

Stitch, Honig, et al., 1952
Stitch, M.L.; Honig, A.; Townes, C.H., Microwave spectroscopy at high temperature-spectra of CsCl and NaCl, Phys. Rev., 1952, 86, 813. [all data]

Honig, Mandel, et al., 1954
Honig, A.; Mandel, M.; Stitch, M.L.; Townes, C.H., Microwave spectra of the alkali halides, Phys. Rev., 1954, 96, 629. [all data]

Clouser and Gordy, 1964
Clouser, P.L.; Gordy, W., Millimeter-wave molecular-beam spectroscopy: alkali chlorides, Phys. Rev., 1964, 134, 863. [all data]

Hebert, Lovas, et al., 1968
Hebert, A.J.; Lovas, F.J.; Melendres, C.A.; Hollowell, C.D.; Story, T.L., Jr.; Street, K., Jr., Dipole moments of some alkali halide molecules by the molecular beam electric resonance method, J. Chem. Phys., 1968, 48, 2824. [all data]

Cederberg and Miller, 1969
Cederberg, J.W.; Miller, C.E., Hyperfine spectrum of NaCl by molecular-beam electric resonance, J. Chem. Phys., 1969, 50, 3547. [all data]

de Leeuw, van Wachem, et al., 1970
de Leeuw, F.H.; van Wachem, R.; Dymanus, A., Radio-frequency spectra of NaCl by the molecular-beam electric resonance method, J. Chem. Phys., 1970, 53, 981. [all data]

Nierenberg and Ramsey, 1947
Nierenberg, W.A.; Ramsey, N.F., The radiofrequency spectra of the sodium halides, Phys. Rev., 1947, 72, 1075. [all data]

Zeiger and Bolef, 1952
Zeiger, H.J.; Bolef, D.I., Molecular beam magnetic resonance spectra of TlCl35 and TlCl37 at zero field, Phys. Rev., 1952, 85, 788. [all data]

Logan, Cote, et al., 1952
Logan, R.A.; Cote, R.E.; Kusch, P., The sign of the quadrupole interaction energy in diatomic molecules, Phys. Rev., 1952, 86, 280. [all data]

Cote and Kusch, 1953
Cote, R.E.; Kusch, P., Low frequency resonances in the spectra of diatomic molecules, Phys. Rev., 1953, 90, 103. [all data]

Ochs, Cote, et al., 1953
Ochs, S.A.; Cote, R.E.; Kusch, P., On the radiofrequency spectrum of the components of a sodium chloride beam. The dimerization of the alkali halides, J. Chem. Phys., 1953, 21, 459. [all data]

Geiger and Pfeiffer, 1968
Geiger, J.; Pfeiffer, H.-C., Untersuchung der Anregung innerer Elektronen von Alkalihalogenidmolekulen im Energieverlustspektrum von 25 keV-Elektronen, Z. Phys., 1968, 208, 105. [all data]

Davidovits and Brodhead, 1967
Davidovits, P.; Brodhead, D.C., Ultraviolet absorption cross sections for the alkali halide vapors, J. Chem. Phys., 1967, 46, 2968. [all data]

Ismail, Hauge, et al., 1975
Ismail, Z.K.; Hauge, R.H.; Margrave, J.L., Infrared studies of matrix isolated sodium and potassium chloride and cyanide dimers, J. Mol. Spectrosc., 1975, 54, 402. [all data]

Brewer and Brackett, 1961
Brewer, L.; Brackett, E., The dissociation energies of gaseous alkali halides, Chem. Rev., 1961, 61, 425. [all data]

Gurvich and Veits, 1957
Gurvich, L.V.; Veits, I.V., Spectroscopic investigation of the equilibrium of the reaction NaCl = Na + Cl in a hydrogen-chlorine flame and the energy of dissociation of NaCl, Dokl. Phys. Chem. Engl. Transl., 1957, 116, 639-640. [all data]

Gurvich and Veits, 1958
Gurvich, L.V.; Veits, I.V., Determination of molecular dissociation energies from flame reaction equilibrium studies, Bull. Acad. Sci. USSR, Phys. Ser. Engl. Transl., 1958, 22, 670-673. [all data]

Bulewicz, Phillips, et al., 1961
Bulewicz, E.M.; Phillips, L.F.; Sugden, T.M., Determination of dissociation constants and heats of formation of simple molecules by flame photometry. Part 8. Stabilities of the gaseous diatomic halides of certain metals, Trans. Faraday Soc., 1961, 57, 921. [all data]

Potts, Williams, et al., 1974
Potts, A.W.; Williams, T.A.; Price, W.C., Photoelectron spectra and electronic structure of diatomic alkali halides, Proc. Roy. Soc. London A, 1974, 341, 147. [all data]

Goodman, Allen, et al., 1974
Goodman, T.D.; Allen, J.D., Jr.; Cusachs, L.C.; Schweitzer, G.K., The photoelectron spectra of gaseous alkali halides, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 289. [all data]

Jordan, 1976
Jordan, K.D., Correlation between molecular electron affinities and dipole moments, J. Chem. Phys., 1976, 65, 1214. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Constants of diatomic molecules, References