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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Gas 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°gas | -92.31 ± 0.10 | kJ/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | -92.31 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1964 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 186.902 ± 0.005 | J/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 186.90 | J/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 (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 1200. | 1200. to 6000. |
---|---|---|
A | 32.12392 | 31.91923 |
B | -13.45805 | 3.203184 |
C | 19.86852 | -0.541539 |
D | -6.853936 | 0.035925 |
E | -0.049672 | -3.438525 |
F | -101.6206 | -108.0150 |
G | 228.6866 | 218.2768 |
H | -92.31201 | -92.31201 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1964 | Data last reviewed in September, 1964 |
Reaction thermochemistry data
Go To: Top, Gas 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:
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° | 124. ± 4.2 | kJ/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° | 99.6 ± 8.4 | kJ/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B,M |
ΔrH° | 96.7 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrH° | 99.16 ± 0.84 | kJ/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B,M |
ΔrH° | 85.4 | kJ/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° | 93.3 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Cl-)SO2; M |
ΔrS° | 98.3 | J/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
ΔrS° | 98.3 | J/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° | 95.4 | J/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° | 68.2 ± 8.4 | kJ/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° | 72. ± 11. | kJ/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B |
ΔrG° | 66.9 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrG° | 69.9 ± 1.3 | kJ/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B |
ΔrG° | 56.9 | kJ/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° | 1394.9 | kJ/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° | 1396. ± 8.8 | kJ/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 1377.0 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCC-(q); ; ΔS(EA)=5.0; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1372.8 ± 0.42 | kJ/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° | 1374. ± 8.4 | kJ/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 1354.4 | kJ/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° | 63.60 ± 0.84 | kJ/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B,M |
ΔrH° | 58.6 | kJ/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Cl- HCl)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 85.4 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Cl- HCl)SO2; M |
ΔrS° | 102. | J/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 33.1 ± 0.84 | kJ/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° | 61.9 ± 8.4 | kJ/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
ΔrH° | 59.4 | kJ/mol | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 83.7 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
ΔrS° | 95.0 | J/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 37. ± 11. | kJ/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
By formula: HO4S- + HCl = (HO4S- • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 65.7 ± 4.2 | kJ/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° | 63.2 | J/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° | 46.9 ± 4.2 | kJ/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° | 51.5 | kJ/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° | 87.4 | J/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° | 54.4 | kJ/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° | 90.8 | J/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° | 93.7 | kJ/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 77.8 | J/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° | 82.0 ± 8.4 | kJ/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.0 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Br-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 54. ± 11. | kJ/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° | 49.0 ± 1.3 | kJ/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 97.9 | J/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.7 ± 1.3 | kJ/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° | 43.1 ± 2.9 | kJ/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 112. | J/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.6 ± 4.2 | kJ/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° | 32. | kJ/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 63.6 | J/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° | 43.9 | kJ/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 78.2 | J/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° | -94.47 | kJ/mol | Cm | Devore and O'Neal, 1969 | liquid phase; Heat of hydrolysis; ALS |
ΔrH° | -92.30 | kJ/mol | Cm | Pritchard and Skinner, 1950 | liquid phase; Heat of hydrolysis at 298 K, see Carson and Skinner, 1949; ALS |
ΔrH° | -92.42 | kJ/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° | 40. | kJ/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in 86 KEE/CAS; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 85.4 | J/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° | 58.2 | kJ/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; From thermochemical cycle; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 80.3 | J/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° | 50.6 ± 4.2 | kJ/mol | Cm | Buravtsev, Grigor'ev, et al., 1992 | gas phase; ALS |
ΔrH° | 82.0 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; ALS |
ΔrH° | 68.2 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
ΔrH° | 67.95 | kJ/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° | 52.3 | kJ/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Br-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 77.0 | J/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° | 92.0 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; ALS |
ΔrH° | 71.5 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
ΔrH° | 72.6 ± 2.1 | kJ/mol | Eqk | Howlett, 1955 | gas phase; ALS |
ΔrH° | 71.5 | kJ/mol | Eqk | Lane, Linnett, et al., 1953 | gas phase; ALS |
By formula: C2H3Cl3 = C2H2Cl2 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.9 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; ALS |
ΔrH° | 49.0 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
ΔrH° | 56.9 ± 2.1 | kJ/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° | -34.04 ± 0.21 | kJ/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° | -101.9 | kJ/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° | 72.4 ± 0.8 | kJ/mol | Eqk | Noren and Sunner, 1970 | gas phase; ALS |
ΔrH° | 73.72 ± 0.63 | kJ/mol | Eqk | Kabo and Andreevskii, 1963 | gas phase; At 415.5 K; ALS |
ΔrH° | 73.0 ± 2.1 | kJ/mol | Eqk | Howlett, 1955 | gas phase; ALS |
By formula: C4H9Cl = C4H8 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 74. ± 2. | kJ/mol | Eqk | Howlett, 1955 | gas phase; ALS |
ΔrH° | 74.06 | kJ/mol | Eqk | Howlett, 1951 | gas phase; Hf-gas-(390) -44.4 kcal/mol; ALS |
ΔrH° | 72. ± 2. | kJ/mol | Eqk | Kistiakowsky and Stauffer, 1937 | gas phase; ALS |
By formula: HCl + C9H10 = C9H11Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -36.8 ± 1.9 | kJ/mol | Cm | Arnett and Pienta, 1980 | liquid phase; solvent: Methylene chloride; Hydrochlorination; ALS |
ΔrH° | -51.9 ± 4.6 | kJ/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° | 66.9 | kJ/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 91.2 | J/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; M |
By formula: CH3+ + HCl = (CH3+ • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 216. | kJ/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/mol; Foster, Williamson, et al., 1974; M |
By formula: C3H6Cl2 = C3H5Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 65.1 | kJ/mol | Eqk | Levanova, Rodova, et al., 1983 | liquid phase; Flow reactor; ALS |
ΔrH° | 59.8 ± 0.8 | kJ/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° | -143.0 ± 0.96 | kJ/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -147.77 ± 0.50 kJ/mol; At 250 C; ALS |
By formula: 2H2 + C3H6Cl2 = C3H8 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -126.5 ± 1.1 | kJ/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -130.60 ± 0.54 kJ/mol; At 250 C; ALS |
By formula: 2H2 + CH2Cl2 = CH4 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -163.4 ± 1.3 | kJ/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -167.7 ± 1.3 kJ/mol; At 250 C; ALS |
By formula: 2H2 + C2H4Cl2 = C2H6 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -140.8 ± 1.0 | kJ/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -145.0 ± 0.50 kJ/mol; At 250C; ALS |
By formula: C4H8Cl2 = C4H7Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -8.79 ± 0.08 | kJ/mol | Eqk | Levanova, Rozhnov, et al., 1972 | gas phase; At 568 K; ALS |
ΔrH° | 55.2 ± 0.3 | kJ/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° | -14. ± 0.08 | kJ/mol | Eqk | Levanova, Rozhnov, et al., 1972 | gas phase; At 568 K; ALS |
ΔrH° | 5.0 ± 0.3 | kJ/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° | -267.7 ± 2.1 | kJ/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -271.6 kJ/mol; At 410 K; ALS |
By formula: (Cl- • HCl) + O2S = (Cl- • O2S • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.5 | kJ/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 77.4 | J/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° | 50.6 | kJ/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 77.8 | J/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
By formula: C4H8Cl2 = C4H7Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.0 | kJ/mol | Eqk | Levanova, Rodova, et al., 1974 | gas phase; ALS |
ΔrH° | 66.53 ± 0.92 | kJ/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° | 68.2 ± 2.1 | kJ/mol | Eqk | Failes and Stimson, 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 69.0 kJ/mol; At 450 K; ALS |
By formula: C2H2Cl4 = HCl + C2HCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.9 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
ΔrH° | 45.40 | kJ/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° | 45.1 ± 4.5 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; GC; ALS |
ΔrH° | 39. | kJ/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° | -265.0 ± 3.3 | kJ/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° | 68. ± 1. | kJ/mol | Eqk | Meged, Levanova, et al., 1980 | gas phase; ALS |
ΔrH° | 68.2 ± 4.2 | kJ/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° | 250. ± 8. | kJ/mol | ICR | Larson and McMahon, 1985 | gas phase; bracketing; M |
By formula: C4H8Cl2 = C4H7Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.1 | kJ/mol | Eqk | Levanova, Rodova, et al., 1974 | gas phase; ALS |
ΔrH° | 61.1 ± 0.4 | kJ/mol | Eqk | Rodova, Shevtsova, et al., 1974 | gas phase; ALS |
By formula: Na+ + HCl = (Na+ • HCl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.0 | kJ/mol | FA | Perry, Rowe, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 85.4 | J/mol*K | FA | Perry, Rowe, et al., 1980 | gas phase; M |
By formula: C2H4Cl2 = C2H3Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 74.5 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; ALS |
ΔrH° | 61.9 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
By formula: C2H3Cl3 = C2H2Cl2 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.5 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
ΔrH° | 65.3 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; ALS |
By formula: C2H2Cl4 = HCl + C2HCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 55.2 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; ALS |
ΔrH° | 44.8 | kJ/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° | -253.5 ± 4.5 | kJ/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° | -39.8 ± 0.3 | kJ/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, 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 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) | 556.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 530.1 | kJ/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° | 1394.9 | kJ/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° | 1396. ± 8.8 | kJ/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 1377.0 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCC-(q); ; ΔS(EA)=5.0; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1372.8 ± 0.42 | kJ/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° | 1374. ± 8.4 | kJ/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 1354.4 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCC-(q); ; ΔS(EA)=5.0; B |
References
Go To: Top, Gas 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.
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Methyl Cation Affinities,
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Thermocatalytic reactions of bromochloropropanes,
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Reaction heats of organic compounds. Part 5.-Heats of hydrogenation of dichloromethane, 1,1- and 1,2-dichloroethane and 1,2-dichloropropane,
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Rodova, Levanova, et al., 1973
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Reversible reactions of 2,3-dichlorobutane,
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Failes and Stimson, 1967
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The thermal decomposition of 1-ethoxyethyl chloride and the reverse combination,
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Levanova, Bushneva, et al., 1976
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Liquid-phase dehydrochlorination of asymmetric tetrachloroethane,
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Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria,
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Rodova, Shevtsova, et al., 1974
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Dehydrochlorination of 1,1-dichlorobutane and isomerization of chlorobutenes,
Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1974, 17, 379-381. [all data]
Perry, Rowe, et al., 1980
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Laboratory Measurements of Stratospheric Sodium Ion Measurements,
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Calhorda, Dias, et al., 1987
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Pennetreau, Natalis, et al., 1983
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Natalis, Pennetreau, et al., 1982
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Ionisation energy values for the vibronic transitions from HCl X1Σ+ (v" = 0) to HCl+ ionic states X2Π (v' = 0-13) and A2Σ+ (v' = 0-12), determined by photoelectron spectroscopy,
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Kimura, Katsumata, et al., 1981
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Huber and Herzberg, 1979
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Lempka, Passmore, et al., 1968
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The photoelectron spectra and ionized states of the halogen acids,
Proc. Roy. Soc. (London), 1968, A304, 53. [all data]
Nicholson, 1965
Nicholson, A.J.C.,
Photoionization-efficiency curves. II. False and genuine structure,
J. Chem. Phys., 1965, 43, 1171. [all data]
Watanabe, 1957
Watanabe, K.,
Ionization potentials of some molecules,
J. Chem. Phys., 1957, 26, 542. [all data]
Krauss, Walker, et al., 1968
Krauss, M.; Walker, J.A.; Dibeler, V.H.,
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J. Res. NBS, 1968, 72A, 281. [all data]
Fox, 1957
Fox, R.E.,
Negative ion formation in hydrogen chloride by electron impact,
J. Chem. Phys., 1957, 26, 1281. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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