Benzene, hexachloro-
- Formula: C6Cl6
- Molecular weight: 284.782
- IUPAC Standard InChI: InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
- IUPAC Standard InChIKey: CKAPSXZOOQJIBF-UHFFFAOYSA-N
- CAS Registry Number: 118-74-1
- 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: Perchlorobenzene; Amatin; Anticarie; Bunt-cure; Bunt-no-more; Co-op Hexa; HCB; Julin's carbon chloride; No Bunt; No Bunt Liquid; No Bunt 40; No Bunt 80; Pentachlorophenyl chloride; Sanocide; Snieciotox; 1,2,3,4,5,6-Hexachlorobenzene; Hexa C.B.; Hexachlorbenzol; Smut-Go; Ceku C.B.; Esaclorobenzene; Granox nm; Rcra waste number U127; Saatbeizfungizid; Sanocid; UN 2729; Julin's chloride; Phenyl perchloryl; Hexcachlorbenzen; Hexachlorobenzene; Benzene, 1,2,3,4,5,6-hexachloro-; NSC 9243
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Gas phase thermochemistry data
Go To: Top, Condensed 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -44.70 | kJ/mol | Ccr | Platonov and Simulin, 1983 |
Condensed phase 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -141.77 | kJ/mol | Ccr | Platonov and Simulin, 1983 | ALS |
| ΔfH°solid | -127.6 ± 4.2 | kJ/mol | Ccb | Sinke and Stull, 1958 | Reanalyzed by Cox and Pilcher, 1970, Original value = -131. ± 4.2 kJ/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2361.09 | kJ/mol | Ccr | Platonov and Simulin, 1983 | ALS |
| ΔcH°solid | -2375.3 ± 4.2 | kJ/mol | Ccb | Sinke and Stull, 1958 | Reanalyzed by Cox and Pilcher, 1970, Original value = -2374.0 kJ/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 260.24 | J/mol*K | N/A | Hildenbrand, Kramer, et al., 1958 | DH |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 201.29 | 298.15 | Hildenbrand, Kramer, et al., 1958 | T = 15 to 300 K.; DH |
| 257.7 | 299.8 | Andrews and Haworth, 1928 | T = 101 to 336 K. Value is unsmoothed experimental datum.; DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Platonov and Simulin, 1983
Platonov, V.A.; Simulin, Yu.N.,
Standard enthalpies of formation of 1,2,3-trichlorobenzene, 1,2,4,5-tetrachlorobenzene, and hexachlorobenzene,
Russ. J. Phys. Chem. (Engl. Transl.), 1983, 57, 840-842. [all data]
Sinke and Stull, 1958
Sinke, G.C.; Stull, D.R.,
Heats of combustion of some organic compounds containing chlorine,
J. Phys. Chem., 1958, 62, 397-401. [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]
Hildenbrand, Kramer, et al., 1958
Hildenbrand, D.L.; Kramer, W.R.; Stull, D.R.,
The heat capacities of hexachlorobenzene and pentachlorophenol from 15 to 300K,
J. Phys. Chem., 1958, 62, 958-959. [all data]
Andrews and Haworth, 1928
Andrews, D.H.; Haworth, E.,
An application of the rule of Dulong and Petit to molecules,
J. Am. Chem. Soc., 1928, 50, 2998-3002. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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