Chlorine
- Formula: Cl2
- Molecular weight: 70.906
- IUPAC Standard InChIKey: KZBUYRJDOAKODT-UHFFFAOYSA-N
- CAS Registry Number: 7782-50-5
- 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. - Other names: Cl2; Bertholite; Chloor; Chlor; Chlore; Chlorine mol.; Cloro; Molecular chlorine; UN 1017; Diatomic chlorine
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Gas phase thermochemistry data
Go To: Top, 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°gas,1 bar | 223.081 ± 0.010 | J/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 223.08 | J/mol*K | Review | Chase, 1998 | Data 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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Temperature (K) | 298. to 1000. | 1000. to 3000. | 3000. to 6000. |
---|---|---|---|
A | 33.05060 | 42.67730 | -42.55350 |
B | 12.22940 | -5.009570 | 41.68570 |
C | -12.06510 | 1.904621 | -7.126830 |
D | 4.385330 | -0.165641 | 0.387839 |
E | -0.159494 | -2.098480 | 101.1440 |
F | -10.83480 | -17.28980 | 132.7640 |
G | 259.0290 | 269.8400 | 264.7860 |
H | 0.000000 | 0.000000 | 0.000000 |
Reference | Chase, 1998 | Chase, 1998 | Chase, 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, 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
+ = Cl3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 99.2 ± 5.0 | kJ/mol | CIDT | Nizzi, Pommerening, et al., 1998 | gas phase; B |
ΔrH° | 69.87 | kJ/mol | Ther | Robbiani and Franklin, 1979 | gas phase; ΔG≈+1 kcal for Cl- + SO2Cl2 <=> Cl3- + SO2; B |
ΔrH° | <182.4 | kJ/mol | PDis | Lee, Smith, et al., 1979 | gas phase; B |
By formula: C2Cl4 + Cl2 = C2Cl6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -153.6 ± 2.5 | kJ/mol | Cm | Kirkbride, 1956 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -150. kJ/mol; ALS |
By formula: Cl- + Cl2 = (Cl- • Cl2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71.1 | kJ/mol | SAMS | Robbiani and Franklin, 1979, 2 | gas phase; based on Cl- + SO2Cl2 <--> Cl3- + SO2; National Bureau of Standards, 1968; M |
By formula: C4F6 + Cl2 = C4Cl2F6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -156.4 ± 4.1 | kJ/mol | Cm | Lacher, McKinley, et al., 1949 | gas phase; Heat of chlorination at 363 °K; ALS |
By formula: C3F6 + Cl2 = C3Cl2F6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -197.27 ± 0.48 | kJ/mol | Cm | Lacher, McKinley, et al., 1949 | gas phase; Heat of chlorination at 363 °K; ALS |
By formula: Cl2 + C2ClF3 = C2Cl3F3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -204.2 ± 2.0 | kJ/mol | Cm | Lacher, McKinley, et al., 1949 | gas phase; Heat of Chlorination at 363 °K; ALS |
By formula: Cl2 + C2Cl2F2 = C2Cl4F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -171.9 ± 2.3 | kJ/mol | Cm | Lacher, McKinley, et al., 1949 | gas phase; Heat of chlorination at 363 °K; ALS |
By formula: C2F4 + Cl2 = C2Cl2F4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -239.84 ± 0.84 | kJ/mol | Cm | Lacher, McKinley, et al., 1949, 2 | gas phase; Chlorination at 90 C; ALS |
By formula: C2H4Cl2 + Cl2 = HCl + C2H3Cl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -116. | kJ/mol | Cm | Kirkbride, 1956 | liquid phase; Heat of chlorination; ALS |
By formula: CHCl3 + Cl2 = CCl4 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -93.30 | kJ/mol | Cm | Kirkbride, 1956 | liquid phase; Heat of chlorination; ALS |
By formula: C2H4 + Cl2 = C2H4Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -182.6 ± 0.63 | kJ/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; At 355 °K; ALS |
By formula: C2H2Cl2 + Cl2 = C2H2Cl4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -169. | kJ/mol | Cm | Kirkbride, 1956 | liquid phase; Heat of chlorination; ALS |
By formula: BrCl + CClF3 = CBrF3 + Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.73 ± 0.63 | kJ/mol | Eqk | Coomber and Whittle, 1967 | gas phase; ALS |
+ = C2BrF5 +
By formula: BrCl + C2ClF5 = C2BrF5 + Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43. ± 3. | kJ/mol | Eqk | Coomber and Whittle, 1967 | gas phase; ALS |
By formula: C2H2Cl2 = C2H2 + Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21. | kJ/mol | Kin | Laursen and Pimentel, 1989 | gas phase; Photolyses; ALS |
By formula: C4F8 + Cl2 = C4Cl2F8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -188.2 ± 1.3 | kJ/mol | Cm | Lacher, Kianpour, et al., 1957 | gas phase; ALS |
By formula: C5F10 + Cl2 = C5Cl2F10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -190.8 ± 1.7 | kJ/mol | Cm | Lacher, Kianpour, et al., 1957, 2 | gas phase; ALS |
By formula: C2Cl6 = C2Cl4 + Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 132.6 ± 4.2 | kJ/mol | Eqk | Puyo, Balesdent, et al., 1963 | gas phase; ALS |
By formula: C4F8 + Cl2 = C4Cl2F8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -176.6 ± 2.1 | kJ/mol | Cm | Lacher, Kianpour, et al., 1957, 2 | gas phase; ALS |
By formula: C6H11Cl + HCl = C6H12 + Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -143.1 | kJ/mol | Cm | Kirkbride, 1956 | liquid phase; ALS |
By formula: C6H6 + Cl2 = C6H5Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -134. | kJ/mol | Cm | Kirkbride, 1956 | liquid phase; ALS |
By formula: Cl2 + C2HCl3 = C2HCl5
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -151. | kJ/mol | Cm | Kirkbride, 1956 | liquid phase; ALS |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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