Chlorine

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Gas phase thermochemistry 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.

Quantity Value Units Method Reference Comment
S°gas,1 bar53.3176 ± 0.0024cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
S°gas,1 bar53.317cal/mol*KReviewChase, 1998Data last reviewed in June, 1982

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 1000.1000. to 3000.3000. to 6000.
A 7.89928310.20012-10.17053
B 2.922897-1.1973169.963122
C -2.8836290.455215-1.703354
D 1.048120-0.0395890.092696
E -0.038120-0.50154924.17400
F -2.589580-4.13236231.73136
G 61.9094264.4933163.28537
H 0.0000000.0000000.000000
ReferenceChase, 1998Chase, 1998Chase, 1998
Comment Data last reviewed in June, 1982 Data last reviewed in June, 1982 Data last reviewed in June, 1982

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Henry's Law 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Chlorine anion + Chlorine = Cl3-

By formula: Cl- + Cl2 = Cl3-

Quantity Value Units Method Reference Comment
ΔrH°23.7 ± 1.2kcal/molCIDTNizzi, Pommerening, et al., 1998gas phase; B
ΔrH°16.70kcal/molTherRobbiani and Franklin, 1979gas phase; ΔG≈+1 kcal for Cl- + SO2Cl2 <=> Cl3- + SO2; B
ΔrH°<43.60kcal/molPDisLee, Smith, et al., 1979gas phase; B

Tetrachloroethylene + Chlorine = Ethane, hexachloro-

By formula: C2Cl4 + Cl2 = C2Cl6

Quantity Value Units Method Reference Comment
ΔrH°-36.70 ± 0.60kcal/molCmKirkbride, 1956liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -37. kcal/mol; ALS

Chlorine anion + Chlorine = (Chlorine anion • Chlorine)

By formula: Cl- + Cl2 = (Cl- • Cl2)

Quantity Value Units Method Reference Comment
ΔrH°17.0kcal/molSAMSRobbiani and Franklin, 1979, 2gas phase; based on Cl- + SO2Cl2 <--> Cl3- + SO2; National Bureau of Standards, 1968; M

Cyclobutene, hexafluoro- + Chlorine = Cyclobutane, 1,2-dichloro-1,2,3,3,4,4-hexafluoro-

By formula: C4F6 + Cl2 = C4Cl2F6

Quantity Value Units Method Reference Comment
ΔrH°-37.38 ± 0.99kcal/molCmLacher, McKinley, et al., 1949gas phase; Heat of chlorination at 363 °K; ALS

Propene, hexafluoro- + Chlorine = 1,2-Dichlorohexafluoropropane

By formula: C3F6 + Cl2 = C3Cl2F6

Quantity Value Units Method Reference Comment
ΔrH°-47.15 ± 0.12kcal/molCmLacher, McKinley, et al., 1949gas phase; Heat of chlorination at 363 °K; ALS

Chlorine + Ethene, chlorotrifluoro- = Ethane, 1,1,2-trichloro-1,2,2-trifluoro-

By formula: Cl2 + C2ClF3 = C2Cl3F3

Quantity Value Units Method Reference Comment
ΔrH°-48.82 ± 0.48kcal/molCmLacher, McKinley, et al., 1949gas phase; Heat of Chlorination at 363 °K; ALS

Chlorine + Ethene, 1,1-dichloro-2,2-difluoro- = Ethane, 1,1,1,2-tetrachloro-2,2-difluoro-

By formula: Cl2 + C2Cl2F2 = C2Cl4F2

Quantity Value Units Method Reference Comment
ΔrH°-41.08 ± 0.56kcal/molCmLacher, McKinley, et al., 1949gas phase; Heat of chlorination at 363 °K; ALS

Ethene, tetrafluoro- + Chlorine = Ethane, 1,2-dichloro-1,1,2,2-tetrafluoro-

By formula: C2F4 + Cl2 = C2Cl2F4

Quantity Value Units Method Reference Comment
ΔrH°-57.32 ± 0.20kcal/molCmLacher, McKinley, et al., 1949, 2gas phase; Chlorination at 90 C; ALS

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

By formula: C2H4Cl2 + Cl2 = HCl + C2H3Cl3

Quantity Value Units Method Reference Comment
ΔrH°-27.8kcal/molCmKirkbride, 1956liquid phase; Heat of chlorination; ALS

Trichloromethane + Chlorine = Carbon Tetrachloride + Hydrogen chloride

By formula: CHCl3 + Cl2 = CCl4 + HCl

Quantity Value Units Method Reference Comment
ΔrH°-22.30kcal/molCmKirkbride, 1956liquid phase; Heat of chlorination; ALS

Ethylene + Chlorine = Ethane, 1,2-dichloro-

By formula: C2H4 + Cl2 = C2H4Cl2

Quantity Value Units Method Reference Comment
ΔrH°-43.65 ± 0.15kcal/molCmConn, Kistiakowsky, et al., 1938gas phase; At 355 °K; ALS

Ethylene, 1,2-dichloro-, (Z)- + Chlorine = Ethane, 1,1,2,2-tetrachloro-

By formula: C2H2Cl2 + Cl2 = C2H2Cl4

Quantity Value Units Method Reference Comment
ΔrH°-40.4kcal/molCmKirkbride, 1956liquid phase; Heat of chlorination; ALS

bromine chloride + Chlorotrifluoromethane = Bromotrifluoromethane + Chlorine

By formula: BrCl + CClF3 = CBrF3 + Cl2

Quantity Value Units Method Reference Comment
ΔrH°10.69 ± 0.15kcal/molEqkCoomber and Whittle, 1967gas phase; ALS

bromine chloride + Pentafluoroethyl chloride = C2BrF5 + Chlorine

By formula: BrCl + C2ClF5 = C2BrF5 + Cl2

Quantity Value Units Method Reference Comment
ΔrH°10.3 ± 0.6kcal/molEqkCoomber and Whittle, 1967gas phase; ALS

Ethylene, 1,2-dichloro-, (Z)- = Acetylene + Chlorine

By formula: C2H2Cl2 = C2H2 + Cl2

Quantity Value Units Method Reference Comment
ΔrH°5.1kcal/molKinLaursen and Pimentel, 1989gas phase; Photolyses; ALS

1-Butene, 1,1,2,3,3,4,4,4-octafluoro- + Chlorine = Butane, 1,2-dichlorooctafluoro-

By formula: C4F8 + Cl2 = C4Cl2F8

Quantity Value Units Method Reference Comment
ΔrH°-44.97 ± 0.31kcal/molCmLacher, Kianpour, et al., 1957gas phase; ALS

C5F10 + Chlorine = C5Cl2F10

By formula: C5F10 + Cl2 = C5Cl2F10

Quantity Value Units Method Reference Comment
ΔrH°-45.61 ± 0.40kcal/molCmLacher, Kianpour, et al., 1957, 2gas phase; ALS

Ethane, hexachloro- = Tetrachloroethylene + Chlorine

By formula: C2Cl6 = C2Cl4 + Cl2

Quantity Value Units Method Reference Comment
ΔrH°31.7 ± 1.0kcal/molEqkPuyo, Balesdent, et al., 1963gas phase; ALS

1,1,3,3,3-Pentafluoro-2-(trifluoromethyl)-1-propene + Chlorine = Propane, 1,2-dichloropentafluoro-2-(trifluoromethyl)-

By formula: C4F8 + Cl2 = C4Cl2F8

Quantity Value Units Method Reference Comment
ΔrH°-42.22 ± 0.51kcal/molCmLacher, Kianpour, et al., 1957, 2gas phase; ALS

Cyclohexane, chloro- + Hydrogen chloride = Cyclohexane + Chlorine

By formula: C6H11Cl + HCl = C6H12 + Cl2

Quantity Value Units Method Reference Comment
ΔrH°-34.20kcal/molCmKirkbride, 1956liquid phase; ALS

Benzene + Chlorine = Benzene, chloro- + Hydrogen chloride

By formula: C6H6 + Cl2 = C6H5Cl + HCl

Quantity Value Units Method Reference Comment
ΔrH°-32.0kcal/molCmKirkbride, 1956liquid phase; ALS

Chlorine + Trichloroethylene = Ethane, pentachloro-

By formula: Cl2 + C2HCl3 = C2HCl5

Quantity Value Units Method Reference Comment
ΔrH°-36.2kcal/molCmKirkbride, 1956liquid phase; ALS

Henry's Law 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 compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
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)

k°H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.0952100.LN/A 
0.0932600.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.
0.0612800.TN/A 
0.0852000.XN/A 
0.0912500.LN/A 
0.0623200.LN/A 

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Notes

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

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Nizzi, Pommerening, et al., 1998
Nizzi, K.E.; Pommerening, C.A.; Sunderlin, L.S., Gas-phase thermochemistry of polyhalide anions, J. Phys. Chem. A, 1998, 102, 39, 7674-7679, https://doi.org/10.1021/jp9824508 . [all data]

Robbiani and Franklin, 1979
Robbiani, R.; Franklin, J.L., Formation of the trihalide ion Cl3- in the gas phase, J. Am. Chem. Soc., 1979, 101, 764. [all data]

Lee, Smith, et al., 1979
Lee, L.C.; Smith, G.P.; Moseley, J.T.; Cosby, P.C.; Guest, J.A., Photodissociation and photodetachment of Cl2-, ClO-, Cl3-, and BrCl2-, J. Chem. Phys., 1979, 70, 3237. [all data]

Kirkbride, 1956
Kirkbride, F.W., The heats of chlorination of some hydrocarbons and their chloro-derivatives, J. Appl. Chem., 1956, 6, 11-21. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Robbiani and Franklin, 1979, 2
Robbiani, R.; Franklin, J.L., Negative ion-molecule reaction in sulfuryl halides, J. Am. Chem. Soc., 1979, 101, 3709. [all data]

National Bureau of Standards, 1968
National Bureau of Standards, US, Technical Note 270 - 3 in The NBS Tables of Chemical Thermodynamic Properties, 1968. [all data]

Lacher, McKinley, et al., 1949
Lacher, J.R.; McKinley, J.J.; Walden, C.; Lea, K.; Park, J.D., Reaction heats of organic fluorine compounds. II. The vapor phase heats of chlorination of some simple fluoroolefins, J. Am. Chem. Soc., 1949, 71, 1334-1337. [all data]

Lacher, McKinley, et al., 1949, 2
Lacher, J.R.; McKinley, J.J.; Snow, C.M.; Michel, L.; Nelson, G.; Park, J.D., Reaction heats of organic fluorine compounds. I. Apparatus and the heat of chlorination of tetrafluoroethylene, J. Am. Chem. Soc., 1949, 71, 1330-1334. [all data]

Conn, Kistiakowsky, et al., 1938
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A., Heats of organic reactions. VII. Addition of halogens to olefins, J. Am. Chem. Soc., 1938, 60, 2764-2771. [all data]

Coomber and Whittle, 1967
Coomber, J.W.; Whittle, E., Bond dissociation energies from equilibrium studies. Part 3.-D(CF3-Cl), D(C2F5-Cl) and the enthalpy of formation of CF3Cl, Trans. Faraday Soc., 1967, 63, 2656-2667. [all data]

Laursen and Pimentel, 1989
Laursen, S.L.; Pimentel, G.C., Matrix-induced intersystem crossing in the photochemistry of the 1,2-dichloroethenes, J. Phys. Chem., 1989, 93, 2328-2333. [all data]

Lacher, Kianpour, et al., 1957
Lacher, J.R.; Kianpour, A.; Park, J.D., Reaction heats of organic halogen compounds. X. Vapor phase heats of hydrobromination of cyclopropane and propylene, J. Phys. Chem., 1957, 61, 1124-1125. [all data]

Lacher, Kianpour, et al., 1957, 2
Lacher, J.R.; Kianpour, A.; Park, J.D., Reaction heats of organic halogen compounds. VIII. The heats of chlorination of perfluorinated butene-1 pentene-1 and isobutene, J. Phys. Chem., 1957, 61, 584-586. [all data]

Puyo, Balesdent, et al., 1963
Puyo, J.; Balesdent, D.; Niclause, M.; Dzierzynski, M., Etude analytique et thermodynamique de la pyrolyse de l'hexachloroethane en phase gazeuse., Compt. Rend., 1963, 256, 3471-3473. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, References