Hexachlorocyclopentadiene
- Formula: C5Cl6
- Molecular weight: 272.772
- IUPAC Standard InChI: InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8
- IUPAC Standard InChIKey: VUNCWTMEJYMOOR-UHFFFAOYSA-N
- CAS Registry Number: 77-47-4
- 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: 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-; C 56; Cyclopentadiene, hexachloro-; Graphlox; Hexachloro-1,3-cyclopentadiene; HRS 1655; Perchlorocyclopentadiene; 1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene; 1,3-Cyclopentadiene, hexachloro-; Hexachlorcyklopentadien; NCI-C55607; Perchloro-1,3-cyclopentadiene; HCCPD; Rcra waste number U130; UN 2646; 1,2,3,4,5,5-Hexachloro-cyclopenta-1,3-diene; NSC 9235
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Condensed 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.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -18.93 ± 0.74 | kcal/mol | Ccb | Lyubarskii and Smolyanets, 1977 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -485.1 ± 0.6 | kcal/mol | Ccb | Lyubarskii and Smolyanets, 1977 |
Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 16.1 ± 0.3 | kcal/mol | V | Lyubarskii and Smolyanets, 1977 | ALS |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 512.2 | 0.991 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 12.8 | 350. | A | Stephenson and Malanowski, 1987 | Based on data from 335. to 512. K.; AC |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 17.6 | 283. | B | Bondi, 1963 | See also Ungnade and McBee, 1958.; AC |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lyubarskii and Smolyanets, 1977
Lyubarskii, M.V.; Smolyanets, R.I.,
Enthalpies of combustion and formation of five-membered cyclic perchlorohydrocarbons,
Vses. Konf. Kalorim. Rasshir. Tezisy Dokl. 7th, 1977, 1, 119-121. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Bondi, 1963
Bondi, A.,
Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments.,
J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027
. [all data]
Ungnade and McBee, 1958
Ungnade, H.E.; McBee, E.T.,
The Chemistry Of Perchlorocyclopentenes And Cyclopentadienes,
Chem. Rev., 1958, 58, 2, 249-320, https://doi.org/10.1021/cr50020a003
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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