sodium chloride
- Formula: ClNa
- Molecular weight: 58.443
- 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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Condensed phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes
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 |
---|---|---|---|---|---|
ΔfH°liquid | -92.237 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1964 |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid,1 bar | 22.72 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1964 |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°solid | -98.260 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1964 |
Quantity | Value | Units | Method | Reference | Comment |
S°solid | 17.23 | cal/mol*K | Review | Chase, 1998 | Data 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 1074. to 2500. |
---|---|
A | -10.14527 |
B | 27.13337 |
C | -10.43179 |
D | 1.409329 |
E | 9.354350 |
F | -73.03083 |
G | 21.76479 |
H | -92.23781 |
Reference | Chase, 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1073. |
---|---|
A | 12.12330 |
B | 1.594711 |
C | -0.601617 |
D | 2.428141 |
E | -0.047963 |
F | -102.1060 |
G | 31.16570 |
H | -98.26011 |
Reference | Chase, 1998 |
Comment | Data last reviewed in September, 1964 |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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 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
By formula: 4Na + C2ClF3 = 2C + ClNa + 3FNa
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -376.7 ± 1.3 | kcal/mol | Cm | Kolesov, Zenkov, et al., 1963 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -368.8 ± 1.3 kcal/mol; ALS |
By formula: Na+ + ClNa = (Na+ • ClNa)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 42.4 | kcal/mol | MS | Chupka, 1959 | gas phase; Knudsen cell; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.6 | cal/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° | -77.27 ± 0.41 | kcal/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° | -66.3 ± 0.1 | kcal/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° | -18.6 ± 1.4 | kcal/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° | -25.81 ± 0.74 | kcal/mol | RSC | Leal, Pires de Matos, et al., 1991 | MS |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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 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 |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, 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]
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]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions 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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