Cyclohexene, 1-chloro-
- Formula: C6H9Cl
- Molecular weight: 116.589
- IUPAC Standard InChI:
- InChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h4H,1-3,5H2
- Download the identifier in a file.
- IUPAC Standard InChIKey: BUAKPITZELZWNI-UHFFFAOYSA-N
- CAS Registry Number: 930-66-5
- 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: 1-Chlorocyclohexene; 1-Chlorocyclohexene-1; 1-Chlorocyclohex-1-ene
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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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 414. | K | N/A | Goering and Sims, 1957 | Uncertainty assigned by TRC = 4. K |
| Tboil | 413.9 | K | N/A | Stevens and Grummitt, 1952 | Uncertainty assigned by TRC = 3. K |
| Tboil | 414. | K | N/A | Stevens and Grummitt, 1952 | Uncertainty assigned by TRC = 4. K |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | J.VOTH UNIV. OF CALIF, DAVIS, CALIFORNIA, 95616, USA |
| NIST MS number | 26882 |
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 894. | Buchman, Cao, et al., 1984 | He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m |
| Packed | SE-30 | 894. | Buchman, Cao, et al., 1984 | He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | Carbowax 20M | 1177. | Buchman, Cao, et al., 1984 | He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m |
| Packed | Carbowax 20M | 1177. | Buchman, Cao, et al., 1984 | He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 876. | Zenkevich, Eliseenkov, et al., 2009 | 25. m/0.20 mm/0.25 «mu»m, Nitrogen, 6. K/min; Tstart: 60. C; Tend: 240. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Goering and Sims, 1957
Goering, H.L.; Sims, L.L.,
Addition of Hydrogen Bromide to 1-Halocyclohexene and the Rearrangement of Dihalocyclohexanes in the Presence of Ferric Chloride,
J. Am. Chem. Soc., 1957, 79, 6270-4. [all data]
Stevens and Grummitt, 1952
Stevens, H.C.; Grummitt, O.,
The Stereochemitry of te Reactions of cis- and trans-2-Chlorocyclohexanol with Thionyl Chloride,
J. Am. Chem. Soc., 1952, 74, 4876-9. [all data]
Buchman, Cao, et al., 1984
Buchman, O.; Cao, G.-Y.; Peng, C.T.,
Structure assignment by retention index in gas-liquid radiochromatography of substituted cyclohexenes,
J. Chromatogr., 1984, 312, 75-90, https://doi.org/10.1016/S0021-9673(01)92765-7
. [all data]
Zenkevich, Eliseenkov, et al., 2009
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N.,
Chromatographic Identification of Cyclohexane Chlorination Products by an Additive Scheme for the Prediction of Retention Indices,
Chromatographia, 2009, 70, 5/6, 839-849, https://doi.org/10.1365/s10337-009-1213-x
. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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