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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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.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -11.7 ± 4.4 | kJ/mol | Ccb | Lyubarskii and Smolyanets, 1977 |
Reaction 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
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
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By formula: C9H2Cl6O3 = C4H2O3 + C5Cl6
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 315. | kJ/mol | Ion | Vijayakumar and Fink, 1983 | solid phase |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- LIQUID (NEAT); PERKIN-ELMER 283; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (10% CCl4 FOR 5000-1330, 10% CS2 FOR 1330-625 CM-1); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1330 AND 10% IN CS2 FOR 1330-450 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-1 | 1314.3 | Dearth and Hites, 1991 | H2, 50. C @ 1. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 320. C |
| Capillary | DB-5 | 1326.8 | Dearth and Hites, 1991 | H2, 50. C @ 1. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 320. C |
| Capillary | SE-54 | 1328. | Harland, Cumming, et al., 1986 | He, 50. C @ 2. min, 8. K/min, 250. C @ 12. min; Column length: 25. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 1318. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1318. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 228.1 | Donnelly, Abdel-Hamid, et al., 1993 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, 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]
Vijayakumar and Fink, 1983
Vijayakumar, C.T.; Fink, J.K.,
Heat of formation of the Diels-Alder adduct of hexachlorocyclopentadiene and maleic anhydride by appearance-energy measurements,
Org. Mass Spectrom., 1983, 18, 134. [all data]
Dearth and Hites, 1991
Dearth, M.A.; Hites, R.A.,
Complete analysis of technical chlordane using negative ionization mass spectrometry,
Environ. Sci. Technol., 1991, 25, 2, 245-254, https://doi.org/10.1021/es00014a005
. [all data]
Harland, Cumming, et al., 1986
Harland, B.J.; Cumming, R.I.; Gillings, E.,
The Kovats indexes of some organic micropollutants on an SE54 capillary column,
EUR, I Org. Micropollut. Aquat. Environ., 1986, EUR 10388, 123-127. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Donnelly, Abdel-Hamid, et al., 1993
Donnelly, J.R.; Abdel-Hamid, M.S.; Jeter, J.L.; Gurka, D.F.,
Application of gas chromatographic retention properties to the identification of environmental contaminants,
J. Chromatogr., 1993, 642, 1-2, 409-415, https://doi.org/10.1016/0021-9673(93)80106-I
. [all data]
Notes
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- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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