Hydrogen chloride

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Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Constants of diatomic molecules, NIST Free Links, 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
Δfgas-22.06 ± 0.024kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas-22.06kcal/molReviewChase, 1998Data last reviewed in September, 1964
Quantity Value Units Method Reference Comment
gas,1 bar44.671 ± 0.001cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar44.670cal/mol*KReviewChase, 1998Data last reviewed in September, 1964

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (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. - 1200.1200. - 6000.
A 7.6778027.628880
B -3.2165520.765579
C 4.748691-0.129431
D -1.6381310.008586
E -0.011872-0.821827
F -24.28791-25.81621
G 54.6574152.16941
H -22.06310-22.06310
ReferenceChase, 1998Chase, 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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Constants of diatomic molecules, NIST Free Links, 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
Tfus161.15KN/ABeckmann and Waentig, 1910Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Ptriple0.13620atmN/AHenderson, Lewis, et al., 1986Uncertainty assigned by TRC = 0.00006 atm; TRC
Quantity Value Units Method Reference Comment
Tc324.68KN/AHenderson, Lewis, et al., 1986Uncertainty assigned by TRC = 0.03 K; TRC
Quantity Value Units Method Reference Comment
Pc81.48atmN/AHenderson, Lewis, et al., 1986Uncertainty 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
3.87188.CGiauque and Wiebe, 1928AC

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 - 188.33.60194535.172-39.847Stull, 1947Coefficents calculated by NIST from author's data.
188.3 - 309.44.56818868.3581.754Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Reference Comment
4.71127.Ser and Larher, 1990Based on data from 121. - 133. K.; AC
4.68142.Ser and Larher, 1990Based on data from 134. - 150. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Constants of diatomic molecules, NIST Free Links, 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

Chlorine anion + Hydrogen chloride = (Chlorine anion • Hydrogen chloride)

By formula: Cl- + HCl = (Cl- • HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr29.6 ± 1.0kcal/molN/AMetz, Kitsopoulos, et al., 1988gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B
Δr23.8 ± 2.0kcal/molTDEqCaldwell and Kebarle, 1985gas phase; B,M
Δr23.1 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr23.70 ± 0.20kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B,M
Δr20.4kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle(Cl-)H2O/HCl, Entropy change calculated or estimated; Keesee and Castleman, 1980; M
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; switching reaction(Cl-)SO2; M
Δr23.5cal/mol*KPHPMSYamdagni and Kebarle, 1974gas phase; M
Δr23.5cal/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δr22.8cal/mol*KN/AUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle(Cl-)H2O/HCl, Entropy change calculated or estimated; Keesee and Castleman, 1980; M
Quantity Value Units Method Reference Comment
Δr16.3 ± 2.0kcal/molIMRELarson and McMahon, 1987gas phase; K = 0.60 for HCl..Cl- + DCL <=> DCl..Cl- + HCl, anchored to Larson and McMahon, 1984, 32; B
Δr17.1 ± 2.6kcal/molTDEqCaldwell and Kebarle, 1985gas phase; B
Δr16.0 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr16.70 ± 0.30kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B
Δr13.6kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle(Cl-)H2O/HCl, Entropy change calculated or estimated; Keesee and Castleman, 1980; M

Chlorine anion + Hydrogen cation = Hydrogen chloride

By formula: Cl- + H+ = HCl

Quantity Value Units Method Reference Comment
Δr333.40kcal/molN/AMartin and Hepburn, 1998gas phase; Given: ΔHacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B
Δr333.6 ± 2.1kcal/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr329.10kcal/molN/ACheck, Faust, et al., 2001gas phase; FeCC-(q); ; ΔS(EA)=5.0; B
Quantity Value Units Method Reference Comment
Δr328.10 ± 0.10kcal/molH-TSMartin and Hepburn, 1998gas phase; Given: ΔHacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B
Δr328.3 ± 2.0kcal/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr323.70kcal/molN/ACheck, Faust, et al., 2001gas phase; FeCC-(q); ; ΔS(EA)=5.0; B

(Chlorine anion • Hydrogen chloride) + Hydrogen chloride = (Chlorine anion • 2Hydrogen chloride)

By formula: (Cl- • HCl) + HCl = (Cl- • 2HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.20 ± 0.20kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B,M
Δr14.0kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; switching reaction(Cl- HCl)SO2; M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; switching reaction(Cl- HCl)SO2; M
Δr24.4cal/mol*KPHPMSYamdagni and Kebarle, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr7.90 ± 0.20kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B

Iodide + Hydrogen chloride = (Iodide • Hydrogen chloride)

By formula: I- + HCl = (I- • HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.8 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Δr14.2kcal/molHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr20.0cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Δr22.7cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr8.8 ± 2.6kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B

HO4S- + Hydrogen chloride = (HO4S- • Hydrogen chloride)

By formula: HO4S- + HCl = (HO4S- • HCl)

Quantity Value Units Method Reference Comment
Δr15.7 ± 1.0kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..HSO4-, Bohringer, Fahey, et al., 1984; B,M
Quantity Value Units Method Reference Comment
Δr15.1cal/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(HSO4-)H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr11.2 ± 1.0kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..HSO4-, Bohringer, Fahey, et al., 1984; B,M

(Chlorine anion • Hydrogen chloride • Water) + Hydrogen chloride = (Chlorine anion • 2Hydrogen chloride • Water)

By formula: (Cl- • HCl • H2O) + HCl = (Cl- • 2HCl • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.3kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle,switching reaction(Cl- H2O) HCl, deuterated; Yamdagni and Kebarle, 1974; M
Quantity Value Units Method Reference Comment
Δr20.9cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle,switching reaction(Cl- H2O) HCl, deuterated; Yamdagni and Kebarle, 1974; M

(Chlorine anion • 2Water) + Hydrogen chloride = (Chlorine anion • Hydrogen chloride • 2Water)

By formula: (Cl- • 2H2O) + HCl = (Cl- • HCl • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle(Cl- 2H2O)H2O, deuterated; Keesee and Castleman, 1980; M
Quantity Value Units Method Reference Comment
Δr21.7cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle(Cl- 2H2O)H2O, deuterated; Keesee and Castleman, 1980; M

(Bromine anion • Sulfur dioxide) + Hydrogen chloride = (Bromine anion • Hydrogen chloride • Sulfur dioxide)

By formula: (Br- • O2S) + HCl = (Br- • HCl • O2S)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr22.4kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M
Quantity Value Units Method Reference Comment
Δr18.6cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M

Bromine anion + Hydrogen chloride = (Bromine anion • Hydrogen chloride)

By formula: Br- + HCl = (Br- • HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr19.6 ± 2.0kcal/molTDEqCaldwell and Kebarle, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.0cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; switching reaction(Br-)SO2; M
Quantity Value Units Method Reference Comment
Δr13.0 ± 2.6kcal/molTDEqCaldwell and Kebarle, 1985gas phase; B

(Chlorine anion • 2Hydrogen chloride) + Hydrogen chloride = (Chlorine anion • 3Hydrogen chloride)

By formula: (Cl- • 2HCl) + HCl = (Cl- • 3HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.70 ± 0.30kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.4cal/mol*KPHPMSYamdagni and Kebarle, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr4.70 ± 0.30kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B

(Chlorine anion • 3Hydrogen chloride) + Hydrogen chloride = (Chlorine anion • 4Hydrogen chloride)

By formula: (Cl- • 3HCl) + HCl = (Cl- • 4HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.30 ± 0.70kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.7cal/mol*KPHPMSYamdagni and Kebarle, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr2.3 ± 1.0kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B

(Chlorine anion • 2Hydrogen chloride) + Water = (Chlorine anion • Water • 2Hydrogen chloride)

By formula: (Cl- • 2HCl) + H2O = (Cl- • H2O • 2HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.6kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr15.2cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M

(Chlorine anion • Hydrogen chloride) + Water = (Chlorine anion • Water • Hydrogen chloride)

By formula: (Cl- • HCl) + H2O = (Cl- • H2O • HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.5kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Δr18.7cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in Keesee and Castleman, 1986; M

Acetyl chloride + Water = Acetic acid + Hydrogen chloride

By formula: C2H3ClO + H2O = C2H4O2 + HCl

Quantity Value Units Method Reference Comment
Δr-22.58kcal/molCmDevore and O'Neal, 1969liquid phase; Heat of hydrolysis; ALS
Δr-22.06kcal/molCmPritchard and Skinner, 1950liquid phase; Heat of hydrolysis at 298 K, see Carson and Skinner, 1949; ALS
Δr-22.09kcal/molCmCarson and Skinner, 1949liquid phase; ALS

(Chlorine anion • Water • Hydrogen chloride) + Water = (Chlorine anion • 2Water • Hydrogen chloride)

By formula: (Cl- • H2O • HCl) + H2O = (Cl- • 2H2O • HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.6kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in 86 KEE/CAS; M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; deuterated, quoted in 86 KEE/CAS; M

(Chlorine anion • Sulfur dioxide) + Hydrogen chloride = (Chlorine anion • Hydrogen chloride • Sulfur dioxide)

By formula: (Cl- • O2S) + HCl = (Cl- • HCl • O2S)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.9kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
Δr19.2cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle; M

Ethane, 1,2-dichloro- = Ethene, chloro- + Hydrogen chloride

By formula: C2H4Cl2 = C2H3Cl + HCl

Quantity Value Units Method Reference Comment
Δr12.1 ± 1.0kcal/molCmBuravtsev, Grigor'ev, et al., 1992gas phase; ALS
Δr19.6kcal/molEqkLevanova, Bushneva, et al., 1979liquid phase; ALS
Δr16.3kcal/molEqkLevanova, Bushneva, et al., 1979gas phase; ALS
Δr16.24kcal/molEqkGhosh and Guha, 1951liquid phase; ALS

(Bromine anion • Hydrogen chloride) + Hydrogen chloride = (Bromine anion • 2Hydrogen chloride)

By formula: (Br- • HCl) + HCl = (Br- • 2HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.5kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; switching reaction(Br-)SO2; M
Quantity Value Units Method Reference Comment
Δr18.4cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; switching reaction(Br-)SO2; M

Ethyl Chloride = Ethylene + Hydrogen chloride

By formula: C2H5Cl = C2H4 + HCl

Quantity Value Units Method Reference Comment
Δr22.0kcal/molEqkLevanova, Bushneva, et al., 1979liquid phase; ALS
Δr17.1kcal/molEqkLevanova, Bushneva, et al., 1979gas phase; ALS
Δr17.35 ± 0.50kcal/molEqkHowlett, 1955gas phase; ALS
Δr17.1kcal/molEqkLane, Linnett, et al., 1953gas phase; ALS

Ethane, 1,1,1-trichloro- = Ethene, 1,1-dichloro- + Hydrogen chloride

By formula: C2H3Cl3 = C2H2Cl2 + HCl

Quantity Value Units Method Reference Comment
Δr13.6kcal/molEqkLevanova, Bushneva, et al., 1979liquid phase; ALS
Δr11.7kcal/molEqkLevanova, Bushneva, et al., 1979gas phase; ALS
Δr13.61 ± 0.50kcal/molEqkLevanova, Treger, et al., 1975liquid phase; solvent: Nitrobenzene; Flow reactor at 50°C; ALS

Water + Benzoyl chloride = Benzoic acid + Hydrogen chloride

By formula: H2O + C7H5ClO = C7H6O2 + HCl

Quantity Value Units Method Reference Comment
Δr-8.136 ± 0.050kcal/molCmMoselhy and Pritchard, 1975liquid phase; solvent: Diphenyl-ether; see Carson, Pritchard, et al., 1950 and Davies, Dunning, et al., 1972; ALS
Δr-24.35kcal/molCmCarson, Pritchard, et al., 1950liquid phase; Heat of hydrolysis; ALS

Propane, 2-chloro- = Propene + Hydrogen chloride

By formula: C3H7Cl = C3H6 + HCl

Quantity Value Units Method Reference Comment
Δr17.3 ± 0.2kcal/molEqkNoren and Sunner, 1970gas phase; ALS
Δr17.62 ± 0.15kcal/molEqkKabo and Andreevskii, 1963gas phase; At 415.5 K; ALS
Δr17.45 ± 0.50kcal/molEqkHowlett, 1955gas phase; ALS

Propane, 2-chloro-2-methyl- = 1-Propene, 2-methyl- + Hydrogen chloride

By formula: C4H9Cl = C4H8 + HCl

Quantity Value Units Method Reference Comment
Δr17.7 ± 0.5kcal/molEqkHowlett, 1955gas phase; ALS
Δr17.70kcal/molEqkHowlett, 1951gas phase; Hf-gas-(390) -44.4 kcal/mol; ALS
Δr17.1 ± 0.5kcal/molEqkKistiakowsky and Stauffer, 1937gas phase; ALS

Hydrogen chloride + α-Methylstyrene = Benzene, (1-chloro-1-methylethyl)-

By formula: HCl + C9H10 = C9H11Cl

Quantity Value Units Method Reference Comment
Δr-8.80 ± 0.45kcal/molCmArnett and Pienta, 1980liquid phase; solvent: Methylene chloride; Hydrochlorination; ALS
Δr-12.4 ± 1.1kcal/molCmNesterova, Kovzel, et al., 1977liquid phase; Hydrochlorination; ALS

(Chlorine anion • Water) + Hydrogen chloride = (Chlorine anion • Hydrogen chloride • Water)

By formula: (Cl- • H2O) + HCl = (Cl- • HCl • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.0kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; M

Methyl cation + Hydrogen chloride = (Methyl cation • Hydrogen chloride)

By formula: CH3+ + HCl = (CH3+ • HCl)

Quantity Value Units Method Reference Comment
Δr51.7kcal/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M

Propane, 2,2-dichloro- = 1-Propene, 2-chloro- + Hydrogen chloride

By formula: C3H6Cl2 = C3H5Cl + HCl

Quantity Value Units Method Reference Comment
Δr15.6kcal/molEqkLevanova, Rodova, et al., 1983liquid phase; Flow reactor; ALS
Δr14.3 ± 0.2kcal/molEqkShevtsova, Rozhnov, et al., 1970gas phase; Heat of Dehydrochlorination at 392 K; ALS

Ethane, 1,2-dichloro- + 2Hydrogen = Ethane + 2Hydrogen chloride

By formula: C2H4Cl2 + 2H2 = C2H6 + 2HCl

Quantity Value Units Method Reference Comment
Δr-34.18 ± 0.23kcal/molChydLacher, Amador, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -35.32 ± 0.12 kcal/mol; At 250 C; ALS

2Hydrogen + Propane, 1,2-dichloro- = Propane + 2Hydrogen chloride

By formula: 2H2 + C3H6Cl2 = C3H8 + 2HCl

Quantity Value Units Method Reference Comment
Δr-30.24 ± 0.26kcal/molChydLacher, Amador, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -31.21 ± 0.13 kcal/mol; At 250 C; ALS

2Hydrogen + Methylene chloride = Methane + 2Hydrogen chloride

By formula: 2H2 + CH2Cl2 = CH4 + 2HCl

Quantity Value Units Method Reference Comment
Δr-39.05 ± 0.30kcal/molChydLacher, Amador, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -40.07 ± 0.30 kcal/mol; At 250 C; ALS

2Hydrogen + Ethane, 1,1-dichloro- = Ethane + 2Hydrogen chloride

By formula: 2H2 + C2H4Cl2 = C2H6 + 2HCl

Quantity Value Units Method Reference Comment
Δr-33.66 ± 0.25kcal/molChydLacher, Amador, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -34.65 ± 0.12 kcal/mol; At 250C; ALS

Butane, 2,2-dichloro- = 2-Butene, 2-chloro-, (Z)- + Hydrogen chloride

By formula: C4H8Cl2 = C4H7Cl + HCl

Quantity Value Units Method Reference Comment
Δr-2.10 ± 0.02kcal/molEqkLevanova, Rozhnov, et al., 1972gas phase; At 568 K; ALS
Δr13.20 ± 0.06kcal/molEqkLevanova, Rozhnov, et al., 1972gas phase; At 404.5 K; ALS

Butane, 2,2-dichloro- = 2-Butene, 2-chloro-, (E)- + Hydrogen chloride

By formula: C4H8Cl2 = C4H7Cl + HCl

Quantity Value Units Method Reference Comment
Δr-3.3 ± 0.02kcal/molEqkLevanova, Rozhnov, et al., 1972gas phase; At 568 K; ALS
Δr1.2 ± 0.06kcal/molEqkLevanova, Rozhnov, et al., 1972gas phase; At 404.5 K; ALS

2Hydrogen + Ethene, chlorotrifluoro- = 1,1,2-Trifluoroethane + Hydrogen chloride

By formula: 2H2 + C2ClF3 = C2H3F3 + HCl

Quantity Value Units Method Reference Comment
Δr-63.98 ± 0.50kcal/molChydLacher, Kianpour, et al., 1956gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -64.92 kcal/mol; At 410 K; ALS

(Chlorine anion • Hydrogen chloride) + Sulfur dioxide = (Chlorine anion • Sulfur dioxide • Hydrogen chloride)

By formula: (Cl- • HCl) + O2S = (Cl- • O2S • HCl)

Quantity Value Units Method Reference Comment
Δr12.3kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr18.5cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M

(Bromine anion • Hydrogen chloride) + Sulfur dioxide = (Bromine anion • Sulfur dioxide • Hydrogen chloride)

By formula: (Br- • HCl) + O2S = (Br- • O2S • HCl)

Quantity Value Units Method Reference Comment
Δr12.1kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr18.6cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M

Butane, 2,3-dichloro- = 2-Butene, 2-chloro-, (Z)- + Hydrogen chloride

By formula: C4H8Cl2 = C4H7Cl + HCl

Quantity Value Units Method Reference Comment
Δr16.5kcal/molEqkLevanova, Rodova, et al., 1974gas phase; ALS
Δr15.90 ± 0.22kcal/molEqkRodova, Levanova, et al., 1973gas phase; At 454 K; ALS

1-Chloro-2-ethoxyethane = Ethene, ethoxy- + Hydrogen chloride

By formula: C4H9ClO = C4H8O + HCl

Quantity Value Units Method Reference Comment
Δr16.30 ± 0.50kcal/molEqkFailes and Stimson, 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 16.5 kcal/mol; At 450 K; ALS

Ethane, 1,1,1,2-tetrachloro- = Hydrogen chloride + Trichloroethylene

By formula: C2H2Cl4 = HCl + C2HCl3

Quantity Value Units Method Reference Comment
Δr10.5kcal/molEqkLevanova, Bushneva, et al., 1979gas phase; ALS
Δr10.85kcal/molEqkLevanova, Bushneva, et al., 1976liquid phase; At 333 K; ALS

Ethane, pentachloro- = Tetrachloroethylene + Hydrogen chloride

By formula: C2HCl5 = C2Cl4 + HCl

Quantity Value Units Method Reference Comment
Δr10.8 ± 1.1kcal/molEqkLevanova, Bushneva, et al., 1979liquid phase; GC; ALS
Δr9.3kcal/molEqkLevanova, Bushneva, et al., 1979gas phase; ALS

2Hydrogen chloride (g) + Aluminum, chlorodiethyl- (l) = AlCl3 (cr) + 2Ethane (g)

By formula: 2HCl (g) + C4H10AlCl (l) = AlCl3 (cr) + 2C2H6 (g)

Quantity Value Units Method Reference Comment
Δr-63.34 ± 0.79kcal/molRSCShaulov and Shmyreva, 1968The reaction enthalpy was derived from data in Shaulov and Shmyreva, 1968.; MS

Butane, 2,3-dichloro-2-methyl- = 2-Butene, 2-chloro-3-methyl- + Hydrogen chloride

By formula: C5H10Cl2 = C5H9Cl + HCl

Quantity Value Units Method Reference Comment
Δr16.2 ± 0.3kcal/molEqkMeged, Levanova, et al., 1980gas phase; ALS
Δr16.3 ± 1.0kcal/molEqkMeged, Levanova, et al., 1980gas phase; ALS

Fluorine anion + Hydrogen chloride = (Fluorine anion • Hydrogen chloride)

By formula: F- + HCl = (F- • HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr60. ± 2.kcal/molICRLarson and McMahon, 1985gas phase; bracketing; M

Butane, 1,1-dichloro- = 1-Butene, 1-chloro-, (Z)- + Hydrogen chloride

By formula: C4H8Cl2 = C4H7Cl + HCl

Quantity Value Units Method Reference Comment
Δr14.6kcal/molEqkLevanova, Rodova, et al., 1974gas phase; ALS
Δr14.61 ± 0.09kcal/molEqkRodova, Shevtsova, et al., 1974gas phase; ALS

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

By formula: Na+ + HCl = (Na+ • HCl)

Quantity Value Units Method Reference Comment
Δr12.2kcal/molFAPerry, Rowe, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KFAPerry, Rowe, et al., 1980gas phase; M

Ethane, 1,1-dichloro- = Ethene, chloro- + Hydrogen chloride

By formula: C2H4Cl2 = C2H3Cl + HCl

Quantity Value Units Method Reference Comment
Δr17.8kcal/molEqkLevanova, Bushneva, et al., 1979liquid phase; ALS
Δr14.8kcal/molEqkLevanova, Bushneva, et al., 1979gas phase; ALS

Ethane, 1,1,2-trichloro- = Ethene, 1,1-dichloro- + Hydrogen chloride

By formula: C2H3Cl3 = C2H2Cl2 + HCl

Quantity Value Units Method Reference Comment
Δr12.3kcal/molEqkLevanova, Bushneva, et al., 1979gas phase; ALS
Δr15.6kcal/molEqkLevanova, Bushneva, et al., 1979liquid phase; ALS

Ethane, 1,1,2,2-tetrachloro- = Hydrogen chloride + Trichloroethylene

By formula: C2H2Cl4 = HCl + C2HCl3

Quantity Value Units Method Reference Comment
Δr13.2kcal/molEqkLevanova, Bushneva, et al., 1979liquid phase; ALS
Δr10.7kcal/molEqkLevanova, Bushneva, et al., 1979gas phase; ALS

C30H28Fe2Ti (cr) + 2(Hydrogen chloride • 4.40Water) (solution) = 2Ferrocene (cr) + Titanocene dichloride (cr)

By formula: C30H28Fe2Ti (cr) + 2(HCl • 4.40H2O) (solution) = 2C10H10Fe (cr) + C10H10Cl2Ti (cr)

Quantity Value Units Method Reference Comment
Δr-60.6 ± 1.1kcal/molRSCDias, Salema, et al., 1982Please also see Calhorda, Dias, et al., 1987.; MS

Benzoyl chloride, 2-chloro- + Water = Benzoic acid, 2-chloro- + Hydrogen chloride

By formula: C7H4Cl2O + H2O = C7H5ClO2 + HCl

Quantity Value Units Method Reference Comment
Δr-9.50 ± 0.06kcal/molCmMoselhy and Pritchard, 1975liquid phase; solvent: Diphenyl-ether; Heat of hydrolysis; ALS

Henry's Law data

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

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
19.600.QN/AOnly the tabulated data between T = 273. K and T = 303. K from missing citation was used to derive kH and -Δ kH/R. Above T = 303. K the tabulated data could not be parameterized by equation (reference missing) very well. The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by missing citation. The quantities A and α from missing citation were assumed to be identical.
2.0×10+6/KA9000.TN/AFor strong acids, the solubility is often expressed as kH = ([H+] * [A-]) / p(HA). To obtain the physical solubility of HA, the value has to be divided by the acidity constant KA. missing citation corrects erroneous data from missing citation.
2500. QN/ASeveral references are given in the list of Henry's law constants but not assigned to specific species.
1.12000.TN/A 
20. CN/A 
2.0×10+6/KA9000.TN/A 
1500. XN/AThe value is taken from the compilation of solubilities by W. Asman (unpublished).
19.9000.XN/AThe value is taken from the compilation of solubilities by W. Asman (unpublished).
170000./KA XN/AThe value is taken from the compilation of solubilities by W. Asman (unpublished). For strong acids, the solubility is often expressed as kH = ([H+] * [A-]) / p(HA). To obtain the physical solubility of HA, the value has to be divided by the acidity constant KA.

Gas phase ion energetics data

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

Data 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 ± 0.009eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)133.1kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity126.7kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
12.790PEWang, Dillon, et al., 1984LBLHLM
12.752 ± 0.006PEPennetreau, Natalis, et al., 1983LBLHLM
12.748PEVon Niessen, Asbrink, et al., 1982LBLHLM
12.747 ± 0.002PENatalis, Pennetreau, et al., 1982LBLHLM
12.75PEKimura, Katsumata, et al., 1981LLK
12.72 ± 0.03PITiedemann, Anderson, et al., 1979LLK
12.748EVALHuber and Herzberg, 1979LLK
12.748 ± 0.005PEWeiss, Lawrence, et al., 1970RDSH
12.74 ± 0.01PELempka, Passmore, et al., 1968RDSH
12.742 ± 0.010PINicholson, 1965RDSH
12.74 ± 0.01PIWatanabe, 1957RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Cl+17.34 ± 0.01HPIKrauss, Walker, et al., 1968RDSH
H+14.5Cl-EIFox, 1957RDSH

De-protonation reactions

Chlorine anion + Hydrogen cation = Hydrogen chloride

By formula: Cl- + H+ = HCl

Quantity Value Units Method Reference Comment
Δr333.40kcal/molN/AMartin and Hepburn, 1998gas phase; Given: ΔHacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B
Δr333.6 ± 2.1kcal/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr329.10kcal/molN/ACheck, Faust, et al., 2001gas phase; FeCC-(q); ; ΔS(EA)=5.0; B
Quantity Value Units Method Reference Comment
Δr328.10 ± 0.10kcal/molH-TSMartin and Hepburn, 1998gas phase; Given: ΔHacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B
Δr328.3 ± 2.0kcal/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr323.70kcal/molN/ACheck, Faust, et al., 2001gas phase; FeCC-(q); ; ΔS(EA)=5.0; B

Ion clustering data

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

Data compiled as indicated in comments:
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

Bromine anion + Hydrogen chloride = (Bromine anion • Hydrogen chloride)

By formula: Br- + HCl = (Br- • HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr19.6 ± 2.0kcal/molTDEqCaldwell and Kebarle, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.0cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; switching reaction(Br-)SO2; M
Quantity Value Units Method Reference Comment
Δr13.0 ± 2.6kcal/molTDEqCaldwell and Kebarle, 1985gas phase; B

(Bromine anion • Hydrogen chloride) + Hydrogen chloride = (Bromine anion • 2Hydrogen chloride)

By formula: (Br- • HCl) + HCl = (Br- • 2HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.5kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; switching reaction(Br-)SO2; M
Quantity Value Units Method Reference Comment
Δr18.4cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; switching reaction(Br-)SO2; M

(Bromine anion • Sulfur dioxide) + Hydrogen chloride = (Bromine anion • Hydrogen chloride • Sulfur dioxide)

By formula: (Br- • O2S) + HCl = (Br- • HCl • O2S)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr22.4kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M
Quantity Value Units Method Reference Comment
Δr18.6cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle,switching reaction(Br-)SO2; M

Methyl cation + Hydrogen chloride = (Methyl cation • Hydrogen chloride)

By formula: CH3+ + HCl = (CH3+ • HCl)

Quantity Value Units Method Reference Comment
Δr51.7kcal/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M

C6H6+ + Hydrogen chloride = (C6H6+ • Hydrogen chloride)

By formula: C6H6+ + HCl = (C6H6+ • HCl)

Quantity Value Units Method Reference Comment
Δr7.3kcal/molPIWalters, Grover, et al., 1985gas phase; M

Chlorine anion + Hydrogen chloride = (Chlorine anion • Hydrogen chloride)

By formula: Cl- + HCl = (Cl- • HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr29.6 ± 1.0kcal/molN/AMetz, Kitsopoulos, et al., 1988gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B
Δr23.8 ± 2.0kcal/molTDEqCaldwell and Kebarle, 1985gas phase; B,M
Δr23.1 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr23.70 ± 0.20kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B,M
Δr20.4kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle(Cl-)H2O/HCl, Entropy change calculated or estimated; Keesee and Castleman, 1980; M
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; switching reaction(Cl-)SO2; M
Δr23.5cal/mol*KPHPMSYamdagni and Kebarle, 1974gas phase; M
Δr23.5cal/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δr22.8cal/mol*KN/AUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle(Cl-)H2O/HCl, Entropy change calculated or estimated; Keesee and Castleman, 1980; M
Quantity Value Units Method Reference Comment
Δr16.3 ± 2.0kcal/molIMRELarson and McMahon, 1987gas phase; K = 0.60 for HCl..Cl- + DCL <=> DCl..Cl- + HCl, anchored to Larson and McMahon, 1984, 32; B
Δr17.1 ± 2.6kcal/molTDEqCaldwell and Kebarle, 1985gas phase; B
Δr16.0 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr16.70 ± 0.30kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B
Δr13.6kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle(Cl-)H2O/HCl, Entropy change calculated or estimated; Keesee and Castleman, 1980; M

(Chlorine anion • Hydrogen chloride) + Hydrogen chloride = (Chlorine anion • 2Hydrogen chloride)

By formula: (Cl- • HCl) + HCl = (Cl- • 2HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.20 ± 0.20kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B,M
Δr14.0kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; switching reaction(Cl- HCl)SO2; M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; switching reaction(Cl- HCl)SO2; M
Δr24.4cal/mol*KPHPMSYamdagni and Kebarle, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr7.90 ± 0.20kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B

(Chlorine anion • 2Hydrogen chloride) + Hydrogen chloride = (Chlorine anion • 3Hydrogen chloride)

By formula: (Cl- • 2HCl) + HCl = (Cl- • 3HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.70 ± 0.30kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.4cal/mol*KPHPMSYamdagni and Kebarle, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr4.70 ± 0.30kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B

(Chlorine anion • 3Hydrogen chloride) + Hydrogen chloride = (Chlorine anion • 4Hydrogen chloride)

By formula: (Cl- • 3HCl) + HCl = (Cl- • 4HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.30 ± 0.70kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.7cal/mol*KPHPMSYamdagni and Kebarle, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr2.3 ± 1.0kcal/molTDAsYamdagni and Kebarle, 1974gas phase; B

(Chlorine anion • Hydrogen chloride • Water) + Hydrogen chloride = (Chlorine anion • 2Hydrogen chloride • Water)

By formula: (Cl- • HCl • H2O) + HCl = (Cl- • 2HCl • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.3kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle,switching reaction(Cl- H2O) HCl, deuterated; Yamdagni and Kebarle, 1974; M
Quantity Value Units Method Reference Comment
Δr20.9cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle,switching reaction(Cl- H2O) HCl, deuterated; Yamdagni and Kebarle, 1974; M

(Chlorine anion • Water) + Hydrogen chloride = (Chlorine anion • Hydrogen chloride • Water)

By formula: (Cl- • H2O) + HCl = (Cl- • HCl • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.0kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; M

(Chlorine anion • 2Water) + Hydrogen chloride = (Chlorine anion • Hydrogen chloride • 2Water)

By formula: (Cl- • 2H2O) + HCl = (Cl- • HCl • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle(Cl- 2H2O)H2O, deuterated; Keesee and Castleman, 1980; M
Quantity Value Units Method Reference Comment
Δr21.7cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle(Cl- 2H2O)H2O, deuterated; Keesee and Castleman, 1980; M

(Chlorine anion • Sulfur dioxide) + Hydrogen chloride = (Chlorine anion • Hydrogen chloride • Sulfur dioxide)

By formula: (Cl- • O2S) + HCl = (Cl- • HCl • O2S)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.9kcal/molPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
Δr19.2cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; From thermochemical cycle; M

Fluorine anion + Hydrogen chloride = (Fluorine anion • Hydrogen chloride)

By formula: F- + HCl = (F- • HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr60. ± 2.kcal/molICRLarson and McMahon, 1985gas phase; bracketing; M

HCl+ + Hydrogen chloride = (HCl+ • Hydrogen chloride)

By formula: HCl+ + HCl = (HCl+ • HCl)

Quantity Value Units Method Reference Comment
Δr20.kcal/molPITiedemann, Anderson, et al., 1979gas phase; M

HO4S- + Hydrogen chloride = (HO4S- • Hydrogen chloride)

By formula: HO4S- + HCl = (HO4S- • HCl)

Quantity Value Units Method Reference Comment
Δr15.7 ± 1.0kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..HSO4-, Bohringer, Fahey, et al., 1984; B,M
Quantity Value Units Method Reference Comment
Δr15.1cal/mol*KN/ABohringer, Fahey, et al., 1984gas phase; switching reaction(HSO4-)H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr11.2 ± 1.0kcal/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..HSO4-, Bohringer, Fahey, et al., 1984; B,M

Iodide + Hydrogen chloride = (Iodide • Hydrogen chloride)

By formula: I- + HCl = (I- • HCl)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.8 ± 2.0kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B,M
Δr14.2kcal/molHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr20.0cal/mol*KPHPMSCaldwell and Kebarle, 1985gas phase; M
Δr22.7cal/mol*KHPMSKeesee, Lee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr8.8 ± 2.6kcal/molTDAsCaldwell and Kebarle, 1985gas phase; B

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

By formula: Na+ + HCl = (Na+ • HCl)

Quantity Value Units Method Reference Comment
Δr12.2kcal/molFAPerry, Rowe, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KFAPerry, Rowe, et al., 1980gas phase; M

IR Spectrum

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Data compiled by: Coblentz Society, Inc.


Mass spectrum (electron ionization)

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

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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NIST MS number 18847

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Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, 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

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for H35Cl
StateTeωeωexeωeyeBeαeγeDeβereTrans.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
StateTeωeωexeωeyeBeαeγeDeβereTrans.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
StateTeωeωexeωeyeBeαeγeDeβereTrans.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
StateTeωeωexeωeyeBeαeγeDeβereTrans.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
StateTeωeωexeωeyeBeαeγeDeβereTrans.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
StateTeωeωexeωeyeBeαeγeDeβereTrans.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

1Rydberg series corresponding to excitation of a 2p electron.
2v=0...5 observed. Assigned as 3pσ3pπ4 5sσ. 39
3Assigned as 3pσ3pπ4 4pσ/π. 39
4Many 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.
5Average B, D values; B(R,P)-B(Q) = +0.385.
6Configuration ...σ2π3 4pπ.
7Average B, D values; B(1+)-B(1-) = - 0.060.
8Refers to Δ+; Q branch not resolved.
9Configuration ...σ2π3 4pσ.
10Average B, D values; B(Π+)-B(Π-) = +0.063.
11Average B, D values; B(Π+)-B(Π-) = -0.040.
12Average B, D values; B(Δ+)-B(Δ-) = -0.030.
13Average B, D values; B(Π+)-B(Π-) = -0.160.
14Average B, D values; B(Π+)-B(Π-) = -0.667.
15Configuration σ2π3 4sσ.
16v=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.
17A1so observed in inert matrices Boursey, 1975.
18Typica1 "V" state with configuration ... σπ4 σ*.
19missing note
20Very 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.
21Continuous absorption starting at 44000 cm-1, maximum 40 at 65500 cm-1.
22Diffuse rotational structure; 1-0 and 2-0 are increasingly diffuse.
23The b2←X and b0←X components have only 1/50 of the intensity of b1←X.
24Configuration ...σ2π3 σ*.
25Continuous aabsorption starting at 44000 cm-1, maximum at 65500 cm-1.
26Applying 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.
27ωeze = -0.01218 Rank, Rao, et al., 1965.
28Slightly 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.
31Uncorrected 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.
32Rot.-vibr. Bands 41 34
33Absolute intensity measurements Chamberlain and Gebbie, 1965, Sanderson, 1967.
34Pressure-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.
35μel(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.
36Proton spin - rotation interaction constant Leavitt, Baker, et al., 1961, Code, Khosla, et al., 1968.
37From D00(H2), D00(Cl2), and ΔHof0(HCl)
38From 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.
39Strongly broadened by preionization (lifetime τ= 1.1E-14 s) Terwilliger and Smith, 1973.
40Absorption coefficient k=40.
41Absolute 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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Constants of diatomic molecules, NIST Free Links, 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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Larson and McMahon, 1984, 3
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Cox and Pilcher, 1970
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Larson and McMahon, 1985
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Rodova, Shevtsova, et al., 1974
Rodova, R.M.; Shevtsova, L.A.; Levanova, S.V.; Rozhnov, A.M.; Garkushin, I.K., 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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Calhorda, Dias, et al., 1987
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Hunter and Lias, 1998
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Pennetreau, Natalis, et al., 1983
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Von Niessen, Asbrink, et al., 1982
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Natalis, Pennetreau, et al., 1982
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Notes

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