Hydrogen chloride
- Formula: ClH
- Molecular weight: 36.461
- IUPAC Standard InChIKey: VEXZGXHMUGYJMC-UHFFFAOYSA-N
- CAS Registry Number: 7647-01-0
- 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. - Isotopologues:
- Other names: Hydrochloric ccid; Anhydrous hydrochloric acid; Chlorohydric acid; Hydrochloric acid gas; Hydrochloride; Muriatic acid; Salzsaeure; HCl; Hydrochloric acid, anhydrous; Hydrogen-chloride-anhydrous-; Acide chlorhydrique; Acido cloridrico; Chloorwaterstof; Chlorowodor; Chlorwasserstoff; NA 1789; Spirits of salt; UN 1050; UN 1789; UN 2186; Anhydrous hydrogen chloride; Hydrogen chloride (acid); Marine acid; Soldering acid; Spirit of salt; Spirits of salts; Hydrogen chloride (HCl); NSC 77365; Hydrochloric acid
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- Information on this page:
- Other data available:
- Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 150, reactions 151 to 158
- Henry's Law data
- IR Spectrum
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -22.06 ± 0.024 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | -22.06 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1964 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 44.671 ± 0.001 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 44.670 | cal/mol*K | Review | Chase, 1998 | Data 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 (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 1200. | 1200. to 6000. |
---|---|---|
A | 7.677802 | 7.628880 |
B | -3.216552 | 0.765579 |
C | 4.748691 | -0.129431 |
D | -1.638131 | 0.008586 |
E | -0.011872 | -0.821827 |
F | -24.28791 | -25.81621 |
G | 54.65741 | 52.16941 |
H | -22.06310 | -22.06310 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1964 | Data last reviewed in September, 1964 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 161.15 | K | N/A | Beckmann and Waentig, 1910 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 0.13620 | atm | N/A | Henderson, Lewis, et al., 1986 | Uncertainty assigned by TRC = 0.00006 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 324.68 | K | N/A | Henderson, Lewis, et al., 1986 | Uncertainty assigned by TRC = 0.03 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 81.48 | atm | N/A | Henderson, Lewis, et al., 1986 | Uncertainty assigned by TRC = 0.0813 atm; VP measured up to 219 K and Pc determined from fitted Wagner equation; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
3.87 | 188. | C | Giauque and Wiebe, 1928 | AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
122.3 to 188.3 | 3.60194 | 535.172 | -39.847 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
188.3 to 309.4 | 4.56818 | 868.358 | 1.754 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.71 | 127. | Ser and Larher, 1990 | Based on data from 121. to 133. K.; AC |
4.68 | 142. | Ser and Larher, 1990 | Based on data from 134. to 150. K.; AC |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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.
Reactions 1 to 50
By formula: Cl- + HCl = (Cl- • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.6 ± 1.0 | kcal/mol | N/A | Metz, Kitsopoulos, et al., 1988 | gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
ΔrH° | 23.8 ± 2.0 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B,M |
ΔrH° | 23.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrH° | 23.70 ± 0.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B,M |
ΔrH° | 20.4 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle(Cl-)H2O/HCl, Entropy change calculated or estimated; Keesee and Castleman, 1980; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Cl-)SO2; M |
ΔrS° | 23.5 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
ΔrS° | 23.5 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
ΔrS° | 22.8 | cal/mol*K | N/A | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle(Cl-)H2O/HCl, Entropy change calculated or estimated; Keesee and Castleman, 1980; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 16.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; K = 0.60 for HCl..Cl- + DCL <=> DCl..Cl- + HCl, anchored to Larson and McMahon, 1984, 32; B |
ΔrG° | 17.1 ± 2.6 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B |
ΔrG° | 16.0 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrG° | 16.70 ± 0.30 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B |
ΔrG° | 13.6 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle(Cl-)H2O/HCl, Entropy change calculated or estimated; Keesee and Castleman, 1980; M |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 333.40 | kcal/mol | N/A | Martin and Hepburn, 1998 | gas phase; Given: ΔHacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B |
ΔrH° | 333.6 ± 2.1 | kcal/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 329.10 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCC-(q); ; ΔS(EA)=5.0; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 328.10 ± 0.10 | kcal/mol | H-TS | Martin and Hepburn, 1998 | gas phase; Given: ΔHacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B |
ΔrG° | 328.3 ± 2.0 | kcal/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 323.70 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCC-(q); ; ΔS(EA)=5.0; B |
By formula: (Cl- • HCl) + HCl = (Cl- • 2HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.20 ± 0.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B,M |
ΔrH° | 14.0 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Cl- HCl)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Cl- HCl)SO2; M |
ΔrS° | 24.4 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.90 ± 0.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B |
By formula: I- + HCl = (I- • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.8 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
ΔrH° | 14.2 | kcal/mol | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.0 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
ΔrS° | 22.7 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 ± 2.6 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
By formula: HO4S- + HCl = (HO4S- • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.7 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..HSO4-, Bohringer, Fahey, et al., 1984; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.1 | cal/mol*K | N/A | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(HSO4-)H2O, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.2 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..HSO4-, Bohringer, Fahey, et al., 1984; B,M |
By formula: (Cl- • HCl • H2O) + HCl = (Cl- • 2HCl • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle,switching reaction(Cl- H2O) HCl, deuterated; Yamdagni and Kebarle, 1974; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.9 | cal/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle,switching reaction(Cl- H2O) HCl, deuterated; Yamdagni and Kebarle, 1974; M |
By formula: (Cl- • 2H2O) + HCl = (Cl- • HCl • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle(Cl- 2H2O)H2O, deuterated; Keesee and Castleman, 1980; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle(Cl- 2H2O)H2O, deuterated; Keesee and Castleman, 1980; M |
By formula: (Br- • O2S) + HCl = (Br- • HCl • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.4 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.6 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M |
By formula: Br- + HCl = (Br- • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.6 ± 2.0 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.0 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Br-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.0 ± 2.6 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B |
By formula: (Cl- • 2HCl) + HCl = (Cl- • 3HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.70 ± 0.30 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.4 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.70 ± 0.30 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B |
By formula: (Cl- • 3HCl) + HCl = (Cl- • 4HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.30 ± 0.70 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.7 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.3 ± 1.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B |
By formula: (Cl- • 2HCl) + H2O = (Cl- • H2O • 2HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.6 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.2 | cal/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in Keesee and Castleman, 1986; M |
By formula: (Cl- • HCl) + H2O = (Cl- • H2O • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.5 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.7 | cal/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in Keesee and Castleman, 1986; M |
By formula: C2H3ClO + H2O = C2H4O2 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -22.58 | kcal/mol | Cm | Devore and O'Neal, 1969 | liquid phase; Heat of hydrolysis; ALS |
ΔrH° | -22.06 | kcal/mol | Cm | Pritchard and Skinner, 1950 | liquid phase; Heat of hydrolysis at 298 K, see Carson and Skinner, 1949; ALS |
ΔrH° | -22.09 | kcal/mol | Cm | Carson and Skinner, 1949 | liquid phase; ALS |
By formula: (Cl- • H2O • HCl) + H2O = (Cl- • 2H2O • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in 86 KEE/CAS; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in 86 KEE/CAS; M |
By formula: (Cl- • O2S) + HCl = (Cl- • HCl • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.9 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.2 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle; M |
By formula: C2H4Cl2 = C2H3Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.1 ± 1.0 | kcal/mol | Cm | Buravtsev, Grigor'ev, et al., 1992 | gas phase; ALS |
ΔrH° | 19.6 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; ALS |
ΔrH° | 16.3 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
ΔrH° | 16.24 | kcal/mol | Eqk | Ghosh and Guha, 1951 | liquid phase; ALS |
By formula: (Br- • HCl) + HCl = (Br- • 2HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.5 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Br-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.4 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Br-)SO2; M |
By formula: C2H5Cl = C2H4 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.0 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; ALS |
ΔrH° | 17.1 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
ΔrH° | 17.35 ± 0.50 | kcal/mol | Eqk | Howlett, 1955 | gas phase; ALS |
ΔrH° | 17.1 | kcal/mol | Eqk | Lane, Linnett, et al., 1953 | gas phase; ALS |
By formula: C2H3Cl3 = C2H2Cl2 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; ALS |
ΔrH° | 11.7 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
ΔrH° | 13.61 ± 0.50 | kcal/mol | Eqk | Levanova, Treger, et al., 1975 | liquid phase; solvent: Nitrobenzene; Flow reactor at 50°C; ALS |
By formula: H2O + C7H5ClO = C7H6O2 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -8.136 ± 0.050 | kcal/mol | Cm | Moselhy and Pritchard, 1975 | liquid phase; solvent: Diphenyl-ether; see Carson, Pritchard, et al., 1950 and Davies, Dunning, et al., 1972; ALS |
ΔrH° | -24.35 | kcal/mol | Cm | Carson, Pritchard, et al., 1950 | liquid phase; Heat of hydrolysis; ALS |
By formula: C3H7Cl = C3H6 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.3 ± 0.2 | kcal/mol | Eqk | Noren and Sunner, 1970 | gas phase; ALS |
ΔrH° | 17.62 ± 0.15 | kcal/mol | Eqk | Kabo and Andreevskii, 1963 | gas phase; At 415.5 K; ALS |
ΔrH° | 17.45 ± 0.50 | kcal/mol | Eqk | Howlett, 1955 | gas phase; ALS |
By formula: C4H9Cl = C4H8 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.7 ± 0.5 | kcal/mol | Eqk | Howlett, 1955 | gas phase; ALS |
ΔrH° | 17.70 | kcal/mol | Eqk | Howlett, 1951 | gas phase; Hf-gas-(390) -44.4 kcal/mol; ALS |
ΔrH° | 17.1 ± 0.5 | kcal/mol | Eqk | Kistiakowsky and Stauffer, 1937 | gas phase; ALS |
By formula: HCl + C9H10 = C9H11Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -8.80 ± 0.45 | kcal/mol | Cm | Arnett and Pienta, 1980 | liquid phase; solvent: Methylene chloride; Hydrochlorination; ALS |
ΔrH° | -12.4 ± 1.1 | kcal/mol | Cm | Nesterova, Kovzel, et al., 1977 | liquid phase; Hydrochlorination; ALS |
By formula: (Cl- • H2O) + HCl = (Cl- • HCl • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.8 | cal/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; M |
By formula: CH3+ + HCl = (CH3+ • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.7 | kcal/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M |
By formula: C3H6Cl2 = C3H5Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.6 | kcal/mol | Eqk | Levanova, Rodova, et al., 1983 | liquid phase; Flow reactor; ALS |
ΔrH° | 14.3 ± 0.2 | kcal/mol | Eqk | Shevtsova, Rozhnov, et al., 1970 | gas phase; Heat of Dehydrochlorination at 392 K; ALS |
By formula: C2H4Cl2 + 2H2 = C2H6 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -34.18 ± 0.23 | kcal/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -35.32 ± 0.12 kcal/mol; At 250 C; ALS |
By formula: 2H2 + C3H6Cl2 = C3H8 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.24 ± 0.26 | kcal/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -31.21 ± 0.13 kcal/mol; At 250 C; ALS |
By formula: 2H2 + CH2Cl2 = CH4 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -39.05 ± 0.30 | kcal/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -40.07 ± 0.30 kcal/mol; At 250 C; ALS |
By formula: 2H2 + C2H4Cl2 = C2H6 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -33.66 ± 0.25 | kcal/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -34.65 ± 0.12 kcal/mol; At 250C; ALS |
By formula: C4H8Cl2 = C4H7Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.10 ± 0.02 | kcal/mol | Eqk | Levanova, Rozhnov, et al., 1972 | gas phase; At 568 K; ALS |
ΔrH° | 13.20 ± 0.06 | kcal/mol | Eqk | Levanova, Rozhnov, et al., 1972 | gas phase; At 404.5 K; ALS |
By formula: C4H8Cl2 = C4H7Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.3 ± 0.02 | kcal/mol | Eqk | Levanova, Rozhnov, et al., 1972 | gas phase; At 568 K; ALS |
ΔrH° | 1.2 ± 0.06 | kcal/mol | Eqk | Levanova, Rozhnov, et al., 1972 | gas phase; At 404.5 K; ALS |
By formula: 2H2 + C2ClF3 = C2H3F3 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -63.98 ± 0.50 | kcal/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -64.92 kcal/mol; At 410 K; ALS |
By formula: (Cl- • HCl) + O2S = (Cl- • O2S • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.5 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
By formula: (Br- • HCl) + O2S = (Br- • O2S • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.1 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.6 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
By formula: C4H8Cl2 = C4H7Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.5 | kcal/mol | Eqk | Levanova, Rodova, et al., 1974 | gas phase; ALS |
ΔrH° | 15.90 ± 0.22 | kcal/mol | Eqk | Rodova, Levanova, et al., 1973 | gas phase; At 454 K; ALS |
By formula: C4H9ClO = C4H8O + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.30 ± 0.50 | kcal/mol | Eqk | Failes and Stimson, 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 16.5 kcal/mol; At 450 K; ALS |
By formula: C2H2Cl4 = HCl + C2HCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.5 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
ΔrH° | 10.85 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1976 | liquid phase; At 333 K; ALS |
By formula: C2HCl5 = C2Cl4 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 ± 1.1 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; GC; ALS |
ΔrH° | 9.3 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
2 (g) + (l) = AlCl3 (cr) + 2 (g)
By formula: 2HCl (g) + C4H10AlCl (l) = AlCl3 (cr) + 2C2H6 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -63.34 ± 0.79 | kcal/mol | RSC | Shaulov and Shmyreva, 1968 | The reaction enthalpy was derived from data in Shaulov and Shmyreva, 1968.; MS |
By formula: C5H10Cl2 = C5H9Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.2 ± 0.3 | kcal/mol | Eqk | Meged, Levanova, et al., 1980 | gas phase; ALS |
ΔrH° | 16.3 ± 1.0 | kcal/mol | Eqk | Meged, Levanova, et al., 1980 | gas phase; ALS |
By formula: F- + HCl = (F- • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 2. | kcal/mol | ICR | Larson and McMahon, 1985 | gas phase; bracketing; M |
By formula: C4H8Cl2 = C4H7Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.6 | kcal/mol | Eqk | Levanova, Rodova, et al., 1974 | gas phase; ALS |
ΔrH° | 14.61 ± 0.09 | kcal/mol | Eqk | Rodova, Shevtsova, et al., 1974 | gas phase; ALS |
By formula: Na+ + HCl = (Na+ • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | FA | Perry, Rowe, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | FA | Perry, Rowe, et al., 1980 | gas phase; M |
By formula: C2H4Cl2 = C2H3Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.8 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; ALS |
ΔrH° | 14.8 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
By formula: C2H3Cl3 = C2H2Cl2 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
ΔrH° | 15.6 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; ALS |
By formula: C2H2Cl4 = HCl + C2HCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.2 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; ALS |
ΔrH° | 10.7 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
C30H28Fe2Ti (cr) + 2( • 4.40) (solution) = 2 (cr) + (cr)
By formula: C30H28Fe2Ti (cr) + 2(HCl • 4.40H2O) (solution) = 2C10H10Fe (cr) + C10H10Cl2Ti (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -60.6 ± 1.1 | kcal/mol | RSC | Dias, Salema, et al., 1982 | Please also see Calhorda, Dias, et al., 1987.; MS |
By formula: C7H4Cl2O + H2O = C7H5ClO2 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -9.50 ± 0.06 | kcal/mol | Cm | Moselhy and Pritchard, 1975 | liquid phase; solvent: Diphenyl-ether; Heat of hydrolysis; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
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
View reactions leading to HCl+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 12.744 ± 0.009 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 133.1 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 126.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.790 | PE | Wang, Dillon, et al., 1984 | LBLHLM |
12.752 ± 0.006 | PE | Pennetreau, Natalis, et al., 1983 | LBLHLM |
12.748 | PE | Von Niessen, Asbrink, et al., 1982 | LBLHLM |
12.747 ± 0.002 | PE | Natalis, Pennetreau, et al., 1982 | LBLHLM |
12.75 | PE | Kimura, Katsumata, et al., 1981 | LLK |
12.72 ± 0.03 | PI | Tiedemann, Anderson, et al., 1979 | LLK |
12.748 | EVAL | Huber and Herzberg, 1979 | LLK |
12.748 ± 0.005 | PE | Weiss, Lawrence, et al., 1970 | RDSH |
12.74 ± 0.01 | PE | Lempka, Passmore, et al., 1968 | RDSH |
12.742 ± 0.010 | PI | Nicholson, 1965 | RDSH |
12.74 ± 0.01 | PI | Watanabe, 1957 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
Cl+ | 17.34 ± 0.01 | H | PI | Krauss, Walker, et al., 1968 | RDSH |
H+ | 14.5 | Cl- | EI | Fox, 1957 | RDSH |
De-protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 333.40 | kcal/mol | N/A | Martin and Hepburn, 1998 | gas phase; Given: ΔHacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B |
ΔrH° | 333.6 ± 2.1 | kcal/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 329.10 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCC-(q); ; ΔS(EA)=5.0; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 328.10 ± 0.10 | kcal/mol | H-TS | Martin and Hepburn, 1998 | gas phase; Given: ΔHacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B |
ΔrG° | 328.3 ± 2.0 | kcal/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 323.70 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCC-(q); ; ΔS(EA)=5.0; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
B - John E. Bartmess
M - 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: Br- + HCl = (Br- • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.6 ± 2.0 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.0 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Br-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.0 ± 2.6 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B |
By formula: (Br- • HCl) + HCl = (Br- • 2HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.5 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Br-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.4 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Br-)SO2; M |
By formula: (Br- • O2S) + HCl = (Br- • HCl • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.4 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.6 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M |
By formula: CH3+ + HCl = (CH3+ • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.7 | kcal/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M |
By formula: C6H6+ + HCl = (C6H6+ • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.3 | kcal/mol | PI | Walters, Grover, et al., 1985 | gas phase; M |
By formula: Cl- + HCl = (Cl- • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.6 ± 1.0 | kcal/mol | N/A | Metz, Kitsopoulos, et al., 1988 | gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
ΔrH° | 23.8 ± 2.0 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B,M |
ΔrH° | 23.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrH° | 23.70 ± 0.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B,M |
ΔrH° | 20.4 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle(Cl-)H2O/HCl, Entropy change calculated or estimated; Keesee and Castleman, 1980; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Cl-)SO2; M |
ΔrS° | 23.5 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
ΔrS° | 23.5 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
ΔrS° | 22.8 | cal/mol*K | N/A | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle(Cl-)H2O/HCl, Entropy change calculated or estimated; Keesee and Castleman, 1980; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 16.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; K = 0.60 for HCl..Cl- + DCL <=> DCl..Cl- + HCl, anchored to Larson and McMahon, 1984, 32; B |
ΔrG° | 17.1 ± 2.6 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B |
ΔrG° | 16.0 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrG° | 16.70 ± 0.30 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B |
ΔrG° | 13.6 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle(Cl-)H2O/HCl, Entropy change calculated or estimated; Keesee and Castleman, 1980; M |
By formula: (Cl- • HCl) + HCl = (Cl- • 2HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.20 ± 0.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B,M |
ΔrH° | 14.0 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Cl- HCl)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Cl- HCl)SO2; M |
ΔrS° | 24.4 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.90 ± 0.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B |
By formula: (Cl- • 2HCl) + HCl = (Cl- • 3HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.70 ± 0.30 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.4 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.70 ± 0.30 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B |
By formula: (Cl- • 3HCl) + HCl = (Cl- • 4HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.30 ± 0.70 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.7 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.3 ± 1.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B |
By formula: (Cl- • HCl • H2O) + HCl = (Cl- • 2HCl • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle,switching reaction(Cl- H2O) HCl, deuterated; Yamdagni and Kebarle, 1974; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.9 | cal/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle,switching reaction(Cl- H2O) HCl, deuterated; Yamdagni and Kebarle, 1974; M |
By formula: (Cl- • H2O) + HCl = (Cl- • HCl • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.8 | cal/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; M |
By formula: (Cl- • 2H2O) + HCl = (Cl- • HCl • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle(Cl- 2H2O)H2O, deuterated; Keesee and Castleman, 1980; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle(Cl- 2H2O)H2O, deuterated; Keesee and Castleman, 1980; M |
By formula: (Cl- • O2S) + HCl = (Cl- • HCl • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.9 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.2 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle; M |
By formula: F- + HCl = (F- • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60. ± 2. | kcal/mol | ICR | Larson and McMahon, 1985 | gas phase; bracketing; M |
By formula: HCl+ + HCl = (HCl+ • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20. | kcal/mol | PI | Tiedemann, Anderson, et al., 1979 | gas phase; M |
By formula: HO4S- + HCl = (HO4S- • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.7 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..HSO4-, Bohringer, Fahey, et al., 1984; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.1 | cal/mol*K | N/A | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(HSO4-)H2O, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.2 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..HSO4-, Bohringer, Fahey, et al., 1984; B,M |
By formula: I- + HCl = (I- • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.8 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
ΔrH° | 14.2 | kcal/mol | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.0 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
ΔrS° | 22.7 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 ± 2.6 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
By formula: Na+ + HCl = (Na+ • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | FA | Perry, Rowe, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | FA | Perry, Rowe, et al., 1980 | gas phase; M |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 18847 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
Rydberg 1 | 200-210 eV | |||||||||||
↳Hayes and Brown, 1972; Schwarz, 1975 | ||||||||||||
Numerous absorption bands above 123000 cm-1, tentatively assigned to higher members of the Rydberg series starting with L and M and converging to A 2Σ+ of HCl+. | ||||||||||||
↳Terwilliger and Smith, 1973 | ||||||||||||
M (1Σ+) | (117811) | [1529] 2 | M ← X | 117093 | ||||||||
↳missing citation | ||||||||||||
L (1Σ+,1Π) | 111280 | 1531 | 52 3 | L ← X | 110555 | |||||||
↳missing citation | ||||||||||||
4 | ||||||||||||
↳Douglas and Greening, 1979 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
K 1Π | (89861) | [2604.6] Z | [9.230] 5 | [-12.6E-4] 5 | [1.3654] | K ← X R | 89680.5 Z | |||||
↳Douglas and Greening, 1979 | ||||||||||||
H 1Σ+ | (89120) | [2093.8] Z | [8.4410] | [8.93E-4] | [1.4278] | H ← X R | 88684.5 Z | |||||
↳Douglas and Greening, 1979 | ||||||||||||
E 1Σ+ | (84193) | [2138.6] Z | [6.6423] | [36.2] | [1.6096] | E ← X R | 83780.2 Z | |||||
↳Douglas and Greening, 1979 | ||||||||||||
g (3Σ-)1 | [84329.7] 6 | [10.36] 7 | [17E-4] 7 | [1.289] | g ← X | 82847.4 Z | ||||||
↳missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
f1 3Δ1 | [84006.1] 6 | [10.270] 8 | [-13E-4] 8 | [1.294] | f1 ← X | 82523.8 Z | ||||||
↳missing citation | ||||||||||||
D 1Π | [83972.0] 9 | [9.794] 10 | [20.5E-4] 10 | [1.326] | D ← X R | 82489.7 Z | ||||||
↳missing citation | ||||||||||||
d0 3Π0 | [83753.6] 9 | [9.404] 11 | [-2.2E-4] 11 | [1.353] | d0 ← X R | 82271.3 Z | ||||||
↳missing citation | ||||||||||||
f2 3Δ2 | [83497.7] 6 | [10.851] 12 | [29.5E-4] 12 | [1.259] | f2 ← X V | 82015.4 Z | ||||||
↳missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
f3 3Δ3 | [83308.2] 6 | [9.45] 8 | [-1.3E-4] 8 | [1.349] | f3 ← X R | 81825.9 Z | ||||||
↳missing citation | ||||||||||||
d1 3Π1 | [83255.6] 9 | [9.768] 13 | [8E-4] 13 | [1.327] | d1 ← X R | 81773.3 Z | ||||||
↳missing citation | ||||||||||||
d2 3Π2 | [83083] 9 | [8.632] 14 | [-14E-4] 14 | [1.412] | d2 ← X R | 81600.7 Z | ||||||
↳missing citation | ||||||||||||
C 1Π | 77575 15 | [2684.0] Z | 16 | [9.333] | 16 | [1.358] | C ← X 17 R | 77485.3 Z | ||||
↳missing citation; Tilford, Ginter, et al., 1970 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
V 1Σ+ | 77293.0 18 | 877.16 Z | 16.04 19 | 2.727 | -0.026 | 1.02E-4 19 | 0.20E-4 | 2.512 | V ↔ X 20 R | 76245.3 Z | ||
↳Jacques, 1959; Jacques and Barrow, 1959; missing citation | ||||||||||||
V 1Σ+ 21 | V → A | |||||||||||
↳Jacques and Barrow, 1959 | ||||||||||||
b0 3Π0 | (75617) 15 | [2712] | [10.36] 22 | [1.289] | b0 ← X 23 | 75490.4 Z | ||||||
↳Price, 1938; missing citation | ||||||||||||
b1 3Π1 | (75195) 15 | (2900) | (79) | [9.87] 22 | [1.320] | b1 ← X R | 75142.6 Z | |||||
↳Price, 1938; missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
b2 3Π2 | [76322.2] 15 | [9.18] 22 | [1.369] | b2 ← X 23 R | 74839.9 Z | |||||||
↳Price, 1938; missing citation | ||||||||||||
A (1Π) 24 25 | A ← X | |||||||||||
↳Datta and Banerjee, 1941; Romand, 1949 | ||||||||||||
X 1Σ+ | 0 | 2990.9463 26 | 52.8186 27 | 0.22437 | 10.593416 26 28 | 0.307181 29 | 5.3194E-4 28 30 | 1.274552 31 32 | ||||
↳Rank, Eastman, et al., 1962; Rank, Rao, et al., 1965 | ||||||||||||
Rotation spectrum 33 34 | ||||||||||||
↳Hansler and Oetjen, 1953; Jones and Gordy, 1964; Rosenberg, Lightman, et al., 1972 | ||||||||||||
Raman cross sections | ||||||||||||
↳Kaiser, 1970; de Leeuw and Dymanus, 1973 | ||||||||||||
Mol. beam electric reson. 35 | ||||||||||||
↳Kaiser, 1970; de Leeuw and Dymanus, 1973 | ||||||||||||
Mol. beam magnetic reson. 36 | ||||||||||||
↳Code, Khosla, et al., 1968 |
Notes
1 | Rydberg series corresponding to excitation of a 2p electron. |
2 | v=0...5 observed. Assigned as 3pσ3pπ4 5sσ. 39 |
3 | Assigned as 3pσ3pπ4 4pσ/π. 39 |
4 | Many other absorption bands in the region 83000 - 93000 cm-1 corresponding to Rydberg states strongly perturbed by the V 1Σ+ state which itself gives rise to many perturbed bands. |
5 | Average B, D values; B(R,P)-B(Q) = +0.385. |
6 | Configuration ...σ2π3 4pπ. |
7 | Average B, D values; B(1+)-B(1-) = - 0.060. |
8 | Refers to Δ+; Q branch not resolved. |
9 | Configuration ...σ2π3 4pσ. |
10 | Average B, D values; B(Π+)-B(Π-) = +0.063. |
11 | Average B, D values; B(Π+)-B(Π-) = -0.040. |
12 | Average B, D values; B(Δ+)-B(Δ-) = -0.030. |
13 | Average B, D values; B(Π+)-B(Π-) = -0.160. |
14 | Average B, D values; B(Π+)-B(Π-) = -0.667. |
15 | Configuration σ2π3 4sσ. |
16 | v=1,2,3 are increasingly diffuse; B1 = 9.296. Tilford, Ginter, et al., 1970 give ωe = 2817.5, ωexe = 66.0, Be = 9.44, αe = 0.15. |
17 | A1so observed in inert matrices Boursey, 1975. |
18 | Typica1 "V" state with configuration ... σπ4 σ*. |
19 | missing note |
20 | Very extended progression in absorption, not yet analyzed in detail. The higher vibrational levels are strongly perturbed by Rydberg states Tilford and Ginter, 1971, Douglas and Greening, 1979. The vibrational and rotational constants given were obtained from the emission spectrum with v≤3 Jacques, 1959, Jacques and Barrow, 1959 but because of the perturbations have only very limited meaning. |
21 | Continuous absorption starting at 44000 cm-1, maximum 40 at 65500 cm-1. |
22 | Diffuse rotational structure; 1-0 and 2-0 are increasingly diffuse. |
23 | The b2←X and b0←X components have only 1/50 of the intensity of b1←X. |
24 | Configuration ...σ2π3 σ*. |
25 | Continuous aabsorption starting at 44000 cm-1, maximum at 65500 cm-1. |
26 | Applying the Dunham corrections Rank, Rao, et al., 1965 obtain ωe = 2991.0904 and Be = 10.593553. Additional corrections (adiabatic, non- adiabatic) discussed by Bunker, 1972. Vibrational levels up to v=5 have been observed in infrared absorption Rank, Birtley, et al., 1960, Rank, Eastman, et al., 1962, Rank, Rao, et al., 1965 and emission Mould, Price, et al., 1960, higher levels in the V→X bands Jacques, 1959, Jacques and Barrow, 1959. Dunham potential coefficients Ogilvie and Koo, 1976. Most recent ab initio values of the ground state molecular constants Meyer and Rosmus, 1975; charge distribution Cade, Bader, et al., 1969. |
27 | ωeze = -0.01218 Rank, Rao, et al., 1965. |
28 | Slightly different constants in Plyler and Tidwell, 1960, Levy, Rossi, et al., 1965, Levy, Rossi, et al., 1966. These papers and Webb and Rao, 1968 give also constants for H37Cl. |
29 | +0.0017724(v+1/2)2 - 0.0001201(v+1/2)3. |
30 | -7.510E-6(v+1/2) + 4.00E-7(v+1/2)2; higher order terms in Rank, Rao, et al., 1965. See also Herman and Asgharian, 1966. |
31 | Uncorrected value from the Be(=Y01) given in the table. The internuclear distance at the minimum of the Born-Oppenheimer curve is re = 1.2746149 Bunker, 1972, Watson, 1973. |
32 | Rot.-vibr. Bands 41 34 |
33 | Absolute intensity measurements Chamberlain and Gebbie, 1965, Sanderson, 1967. |
34 | Pressure-induced shifts (by foreign gases) of rotation-vibration and rotation lines Rank, Eastman, et al., 1960, Ben-Reuven, Kimel, et al., 1961, Gebbie and Stone, 1963, Jaffe, Friedmann, et al., 1963, Jaffe, Hirshfeld, et al., 1964. For discussions of pressure-induced bands and pure rotation lines (ΔJ=2) see Atwood, Vu, et al., 1967, Weiss and Cole, 1967. Self and foreign-gas line broadening Benedict, Herman, et al., 1956, Babrov, Ameer, et al., 1959, Goldring and Benesch, 1962, Jaffe, Kimel, et al., 1962, Plyler and Thibault, 1962, Alamichel and Legay, 1966, Levy, Mariel-Piollet, et al., 1970, Toth, Hunt, et al., 1970, Rich and Welsh, 1971, Rosenberg, Lightman, et al., 1972. Infrared absorption in liquid and solid phases Katz and Ron, 1970, Khatibi and Vu, 1972. |
35 | μel(v=0,1,2)= 1.1085, 1.1390, 1.1685 D, respectively Kaiser, 1970. Dipole moment function Kaiser, 1970, Smith, 1973; see also Bunker, 1973, Kaiser, 1974. gJ = 0.4594, also quadrupole and other hyperfine coupling constants Kaiser, 1970, de Leeuw and Dymanus, 1973; see also Tokuhiro, 1967, Bunker, 1973. |
36 | Proton spin - rotation interaction constant Leavitt, Baker, et al., 1961, Code, Khosla, et al., 1968. |
37 | From D00(H2), D00(Cl2), and ΔHof0(HCl) |
38 | From the photoelectron spectrum Frost, McDowell, et al., 1967, Lempka, Passmore, et al., 1968, Weiss, Lawrence, et al., 1970; photoionization measurements give similar results Watanabe, Nakayama, et al., 1962, Nicholson, 1965. A somewhat smaller I.P.(12.730 eV) may be derived from the second band system in the photoelectron spectrum at 16.254 eV corresponding to A 2Σ+ of HCl+. Higher ionization potentials at 207.1 and 208.7 eV correspond to the removal of a 2p electron Hayes and Brown, 1972. |
39 | Strongly broadened by preionization (lifetime τ= 1.1E-14 s) Terwilliger and Smith, 1973. |
40 | Absorption coefficient k=40. |
41 | Absolute intensities (cm-2atm-1) of the 1-0 band: 130 Benedict, Herman, et al., 1956 2-0 band: 2.9 Benedict, Herman, et al., 1956 3.70 Jaffe, Kimel, et al., 1962, Toth, Hunt, et al., 1970 3-0 band: 0.023 Benedict, Herman, et al., 1956 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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.
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Moselhy and Pritchard, 1975
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Noren and Sunner, 1970
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Stabilities of carbonium ions in solution. 12. Heats of formation of alkyl chlorides as an entree to heats of solvation of aliphatic carbonium ions,
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Shevtsova, Rozhnov, et al., 1970
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Lacher, Amador, et al., 1967
Lacher, J.R.; Amador, A.; Park, J.D.,
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Lacher, Kianpour, et al., 1956
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Rodova, Levanova, et al., 1973
Rodova, R.M.; Levanova, S.V.; Shevtsova, L.A.; Rozhnov, A.M.; Porfir'eva, E.I.,
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The thermal decomposition of 1-ethoxyethyl chloride and the reverse combination,
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Levanova, S.V.; Bushneva, L.I.; Rodova, R.M.; Rozhnov, A.M.; Treger, Yu.A.,
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Meged, V.M.; Levanova, S.V.; Rozhnov, A.M.,
Dehydrohalogenation of dihalomethylbutanes. 2.,
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Negative ion formation in hydrogen chloride by electron impact,
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Electronic excitation of HCl trapped in inert matrices,
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Vibration rotation bands of heated hydrogen halides,
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Notes
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- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Pc Critical pressure Ptriple Triple point pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tc Critical temperature Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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