Chlorine

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Gas phase thermochemistry data

Go To: Top, Phase change data, Henry's Law 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
gas,1 bar223.081 ± 0.010J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar223.08J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. to 1000.1000. to 3000.3000. to 6000.
A 33.0506042.67730-42.55350
B 12.22940-5.00957041.68570
C -12.065101.904621-7.126830
D 4.385330-0.1656410.387839
E -0.159494-2.098480101.1440
F -10.83480-17.28980132.7640
G 259.0290269.8400264.7860
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

Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Tboil239.5KN/AThiele and Schulte, 1920Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple172.17 ± 0.05KN/AAngus, Armstrong, et al., 1984Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple172.12KN/AGiauque and Powell, 1939Uncertainty assigned by TRC = 0.15 K; mean of 5 measurements with thermocouple and Pt res. therm., To = 273.10 K; TRC
Quantity Value Units Method Reference Comment
Ptriple0.01392 ± 0.00003barN/AAngus, Armstrong, et al., 1984Uncertainty assigned by TRC = 0.00003 bar; TRC
Quantity Value Units Method Reference Comment
Tc416.956KN/AAngus, Armstrong, et al., 1984TRC
Tc416.9KN/AAmbrose, Hall, et al., 1979Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Pc79.914barN/AAngus, Armstrong, et al., 1984TRC
Pc79.77barN/AAmbrose, Hall, et al., 1979Uncertainty assigned by TRC = 0.50 bar; Visual, uncertain because of reactivity of element.; TRC
Quantity Value Units Method Reference Comment
ρc8.1344mol/lN/AAngus, Armstrong, et al., 1984TRC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
155. to 239.43.0213530.591-64.639Stull, 1947Coefficents calculated by NIST from author's data.
239.4 to 400.34.28814969.992-12.791Stull, 1947Coefficents calculated by NIST from author's data.

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:


Henry's Law data

Go To: Top, Gas phase thermochemistry data, Phase change 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 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
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 

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 compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to Cl2+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
2.50 ± 0.20NBIEBowen, Liesegang, et al., 1983B
2.33004ECDAyala, Wentworth, et al., 1981Vertical Detachment Energy: 1.02 eV; B
2.40 ± 0.20NBIEDispert and Lacmann, 1977B
2.32 ± 0.10EndoHughes, Lifschitz, et al., 1973B
2.45 ± 0.15NBIEBaeda, 1972B
2.46 ± 0.14IMRBDunkin, Fehsenfeld, et al., 1972B
2.38 ± 0.10EndoChupka, Berkowitz, et al., 1971B
2.52 ± 0.17EIAEDeCorpo and Franklin, 1971From CCl4; B
1.020 ± 0.050NBIEHubers, Kleyn, et al., 1976Stated electron affinity is the Vertical Detachment Energy; B
3.20 ± 0.20NBIELacmann and Herschbach, 1970B

Ionization energy determinations

IE (eV) Method Reference Comment
11.481 ± 0.003TEYencha, Hopkirk, et al., 1995LL
11.480 ± 0.005PEVan Lonkhuyzen and De Lange, 1984LBLHLM
11.50EVALHuber and Herzberg, 1979LLK
11.51 ± 0.01PEPotts and Price, 1971LLK
11.48 ± 0.01PIDibeler, Walker, et al., 1971LLK
11.49PECornford, Frost, et al., 1971LLK
11.49PEAnderson, Mamantov, et al., 1971LLK
11.48 ± 0.01PIWatanabe, 1957RDSH
11.49PEDyke, Josland, et al., 1984Vertical value; LBLHLM
11.59PEKimura, Katsumata, et al., 1981Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Cl+11.86 ± 0.04Cl-EIFrost and McDowell, 1959RDSH

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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.

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]

Thiele and Schulte, 1920
Thiele, A.; Schulte, E., Binary equilibrium systems with solid carbon dioxide, Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1920, 96, 312-42. [all data]

Angus, Armstrong, et al., 1984
Angus, S.; Armstrong, B.; de Reuck, K.M., International Thermodynamic Tables of the Fluid State - Chlorine, Pergamon, Oxford, 1984. [all data]

Giauque and Powell, 1939
Giauque, W.F.; Powell, T.M., Chlorine. The Heat Capacity, Vapor Pressure, Heats of Fusion and Vaporiza- tion, and Entropy, J. Am. Chem. Soc., 1939, 61, 1970. [all data]

Ambrose, Hall, et al., 1979
Ambrose, D.; Hall, D.J.; Lee, D.A.; Lewis, G.B., Vapor pressure of chlorine, J. Chem. Thermodyn., 1979, 11, 1089. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Bowen, Liesegang, et al., 1983
Bowen, K.H.; Liesegang, G.W.; Sanders, R.A.; Herschbach, D.W., Electron Attachment to Molecular Clusters by Collisional Charge Transfer, J. Phys. Chem., 1983, 87, 4, 557-565, https://doi.org/10.1021/j100227a009 . [all data]

Ayala, Wentworth, et al., 1981
Ayala, J.A.; Wentworth, W.E.; Chen, E.C.M., Electron attachment to halogens, J. Phys. Chem., 1981, 85, 768. [all data]

Dispert and Lacmann, 1977
Dispert, H.; Lacmann, K., Chemiionization in alkali-halogen reactions: Evidence for ion formation by alkali dimers, Chem. Phys. Lett., 1977, 47, 533. [all data]

Hughes, Lifschitz, et al., 1973
Hughes, B.M.; Lifschitz, C.; Tiernan, T.O., Electron affinities from endothermic negative-ion charge-transfer reactions. III. NO, NO2, S2, CS2, Cl2, Br2, I2, and C2H, J. Chem. Phys., 1973, 59, 3162. [all data]

Baeda, 1972
Baeda, A.P.M., The adiabatic electron affinities of Cl2, Br2, I2, IBr, NO2, and O2, Physica, 1972, 59, 541. [all data]

Dunkin, Fehsenfeld, et al., 1972
Dunkin, D.B.; Fehsenfeld, F.C.; Ferguson, F.E., Thermal energy rate constants for the reactions NO2- + Cl2 → Cl2-, Cl2- + NO2 Ü Cl-, HS- + NO2 Ü NO2-, HS- + Cl2 Ü Cl2-, and S- + NO2 Ü NO2-, Chem. Phys. Lett., 1972, 15, 257. [all data]

Chupka, Berkowitz, et al., 1971
Chupka, W.A.; Berkowitz, J.; Gutman, D., Electron Affinities of Halogen Diatomic Molecules as Determined by Endoergic Charge Exchange, J. Chem. Phys., 1971, 55, 6, 2724, https://doi.org/10.1063/1.1676487 . [all data]

DeCorpo and Franklin, 1971
DeCorpo, J.J.; Franklin, J.L., Electron affinities of the halogen molecules by dissociative electron attachment, J. Chem. Phys., 1971, 54, 1885. [all data]

Hubers, Kleyn, et al., 1976
Hubers, M.M.; Kleyn, A.W.; Los, J., Ion pair formation in alkali-halogen collisions at high velocities, Chem. Phys., 1976, 17, 303. [all data]

Lacmann and Herschbach, 1970
Lacmann, K.; Herschbach, D.R., Collisional Excitation and Ionization of K Atoms by Diatomic Molecules: Role of Ion-pair States, Chem. Phys. Lett., 1970, 6, 2, 106, https://doi.org/10.1016/0009-2614(70)80144-0 . [all data]

Yencha, Hopkirk, et al., 1995
Yencha, A.J.; Hopkirk, A.; Hiraya, A.; Donovan, R.J.; Goode, J.G.; Maier, R.R.J.; King, G.C.; Kvaran, A., Threshold photoelectron spectroscopy of Cl2 and Br2 up to 35 eV, J. Phys. Chem., 1995, 99, 7231. [all data]

Van Lonkhuyzen and De Lange, 1984
Van Lonkhuyzen, H.; De Lange, C.A., High-resolution UV photoelectron spectroscopy of diatomic halogens, Chem. Phys., 1984, 89, 313. [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]

Potts and Price, 1971
Potts, A.W.; Price, W.C., Photoelectron spectra of the halogens and mixed halides ICI and lBr, J. Chem. Soc. Faraday Trans., 1971, 67, 1242. [all data]

Dibeler, Walker, et al., 1971
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E.; Rosenstock, H.M., Effect of hot bands on the ionization threshold of some diatomic halogen molecules, Intern. J. Mass Spectrom. Ion Phys., 1971, 7, 209. [all data]

Cornford, Frost, et al., 1971
Cornford, A.B.; Frost, D.C.; McDowell, C.A.; Ragle, J.L.; Stenhouse, I.A., Photoelectron spectra of the halogens, J. Chem. Phys., 1971, 54, 2651. [all data]

Anderson, Mamantov, et al., 1971
Anderson, C.P.; Mamantov, G.; Bull, W.E.; Grimm, F.A.; Carver, J.C.; Carlson, T.A., Photoelectron spectrum of chlorine monofluoride, Chem. Phys. Lett., 1971, 12, 137. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Dyke, Josland, et al., 1984
Dyke, J.M.; Josland, G.D.; Snijders, J.G.; Boerrigter, P.M., Ionization energies of the diatomic halogens and interhalogens studied with relativistic hartree-fock-slater calculations, Chem. Phys., 1984, 91, 419. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Frost and McDowell, 1959
Frost, D.C.; McDowell, C.A., Recent electron impact studies on simple molecules (O2, Cl2, I2), Advan. Mass Spectrom., 1959, 1, 413. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, References