sodium chloride
- Formula: ClNa
- Molecular weight: 58.443
- IUPAC Standard InChI: InChI=1S/ClH.Na/h1H;/q;+1/p-1
- IUPAC Standard InChIKey: FAPWRFPIFSIZLT-UHFFFAOYSA-M
- CAS Registry Number: 7647-14-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Salt
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, References, Notes
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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
4 +
= 2
+
+ 3
By formula: 4Na + C2ClF3 = 2C + ClNa + 3FNa
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -1576.1 ± 5.4 | kJ/mol | Cm | Kolesov, Zenkov, et al., 1963 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -1543. ± 5.4 kJ/mol; ALS |
+
= (
•
)
By formula: Na+ + ClNa = (Na+ • ClNa)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 177. | kJ/mol | MS | Chupka, 1959 | gas phase; Knudsen cell; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 73.6 | J/mol*K | MS | Chupka, 1959 | gas phase; Knudsen cell; M |
3 +
= CNa2O3 +
+
+
By formula: 3HNaO + C3H5ClO2 = CNa2O3 + C2H6O + ClNa + H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -323.3 ± 1.7 | kJ/mol | Cm | Davies, Finch, et al., 1980 | liquid phase; Heat of hydrolysis; ALS |
2 +
=
+
+ CNO.Na
By formula: 2HNaO + CClN = ClNa + H2O + CNO.Na
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -277.5 ± 0.4 | kJ/mol | Cm | Lord and Woolf, 1954 | solid phase; Heat of Hydrolysis; ALS |
C6H5NaO (cr) + ( • 552
) (solution) =
(cr) +
(cr)
By formula: C6H5NaO (cr) + (HCl • 552H2O) (solution) = C6H6O (cr) + ClNa (cr)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -78.0 ± 5.7 | kJ/mol | RSC | Leal, Pires de Matos, et al., 1991 | MS |
(cr) + (
• 552
) (solution) =
(l) +
(cr)
By formula: CH3NaO (cr) + (HCl • 552H2O) (solution) = CH4O (l) + ClNa (cr)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -108.0 ± 3.1 | kJ/mol | RSC | Leal, Pires de Matos, et al., 1991 | MS |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Ion clustering data, Constants of diatomic molecules, References, Notes
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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.727 ± 0.010 | LPES | Miller, Leopold, et al., 1986 | B |
| 0.769975 | NBAE | De Vreugd, Wijnaendts van Resandt, et al., 1979 | B |
| >1.27998 | EIAE | Ebinghaus, 1964 | From (NaCl)2; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.2 | EI | Williams, 1982 | LBLHLM |
| 10.0 | EI | Itoh, Sasamoto, et al., 1981 | LLK |
| 8.9 ± 0.1 | PE | Potts, Williams, et al., 1974 | LLK |
| 8.92 ± 0.06 | PI | Berkowitz and Chupka, 1966 | RDSH |
| 9.80 ± 0.04 | PE | Potts and Price, 1977 | Vertical value; LLK |
| 9.0 | PE | Goodman, Allen, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| Na+ | 10.3 | Cl | EI | Itoh, Sasamoto, et al., 1981 | LLK |
| Na+ | 9.5 ± 0.2 | Cl | EI | Bloom, Hastie, et al., 1968 | RDSH |
Ion clustering data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
+
= (
•
)
By formula: Na+ + ClNa = (Na+ • ClNa)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 177. | kJ/mol | MS | Chupka, 1959 | gas phase; Knudsen cell |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 73.6 | J/mol*K | MS | Chupka, 1959 | gas phase; Knudsen cell |
Constants of diatomic molecules
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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
| Symbol | Meaning |
|---|---|
| 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) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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
| 1 | Also 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. |
| 2 | UV absorption cross sections Davidovits and Brodhead, 1967. |
| 3 | Diffuse 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. |
| 4 | From 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. |
| 5 | He = -3.40E-14. |
| 6 | Rot.-vibr. sp. 10 |
| 7 | μel[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. |
| 8 | Thermochemical value [ Brewer and Brackett, 1961,21, flame photometry Gurvich and Veits, 1957, Gurvich and Veits, 1958, Bulewicz, Phillips, et al., 1961]. |
| 9 | Adiabatic 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. |
| 10 | For IR spectrum of matrix isolated sodium chloride see Ismail, Hauge, et al., 1975. |
| 11 | From 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). |
| 12 | From band maxima in the photoelectron spectrum Goodman, Allen, et al., 1974, Potts, Williams, et al., 1974. |
| 13 | From D00(NaCl) and the electron affinities of NaCl and Cl. |
| 14 | Estimated electron affinity Jordan, 1976. |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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.
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]
Miller, Leopold, et al., 1986
Miller, T.M.; Leopold, D.G.; Murray, K.K.; Lineberger, W.C.,
Electron Affinities of the Alkali Halides and the Structure of their Negative Ions,
J. Chem. Phys., 1986, 85, 5, 2368, https://doi.org/10.1063/1.451091
. [all data]
De Vreugd, Wijnaendts van Resandt, et al., 1979
De Vreugd, C.; Wijnaendts van Resandt, R.W.; Los, J.; Smith, B.,
Differential Cross Sections for Collisions of Negative Halogen Ions and Alkali Atoms,
Chem. Phys., 1979, 42, 3, 305, https://doi.org/10.1016/0301-0104(79)80078-6
. [all data]
Ebinghaus, 1964
Ebinghaus, H.Z.,
Negative Ionen aus Alkalihalogeniden und Electronenaffinitaten der Alkalimetalle und Alkalihalogenide,
Z. Naturfor., 1964, 19A, 727. [all data]
Williams, 1982
Williams, D.J.,
Mass spectrometric study of the vaporization of the alkali chloride-cuprous chloride systems,
Aust. J. Chem., 1982, 35, 1531. [all data]
Itoh, Sasamoto, et al., 1981
Itoh, M.; Sasamoto, T.; Sata, T.,
Mass-spectrometric measurement of activities in both solid and liquid solutions of the KCl-NaCl system,
Bull. Chem. Soc. Jpn., 1981, 54, 3391. [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]
Berkowitz and Chupka, 1966
Berkowitz, J.; Chupka, W.A.,
Photoionization of high-temperature vapors. I. The iodides of sodium, magnesium, and thallium,
J. Chem. Phys., 1966, 45, 1287. [all data]
Potts and Price, 1977
Potts, A.W.; Price, W.C.,
Photoelectron studies of ionic materials using molecular beam techniques,
Phys. Scr., 1977, 16, 191. [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]
Bloom, Hastie, et al., 1968
Bloom, H.; Hastie, J.W.; Morrison, J.D.,
Ionization and dissociation of the alkali halides by electron impact,
J. Phys. Chem., 1968, 72, 3041. [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]
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, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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