Benzene, 2-chloro-1,4-dimethyl-
- Formula: C8H9Cl
- Molecular weight: 140.610
- IUPAC Standard InChI: InChI=1S/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
- IUPAC Standard InChIKey: KZNRNQGTVRTDPN-UHFFFAOYSA-N
- CAS Registry Number: 95-72-7
- Chemical structure:
This structure is also available as a 2d Mol file - Isotopologues:
- Other names: p-Xylene, 2-chloro-; Chloro-p-xylene; 1-Chloro-2,5-dimethylbenzene; 2-Chloro-p-xylene; 2-Chloro-1,4-dimethylbenzene
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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: Robert L. Brown and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 460.2 | K | N/A | Weast and Grasselli, 1989 |
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 | Chuck Anderson, Aldrich Chemical Co. |
| NIST MS number | 107674 |
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-54 | 115. | 1077. | Bermejo, Blanco, et al., 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | Squalane | 115. | 1051. | Bermejo, Blanco, et al., 1986 | N2; Column length: 45. m; Column diameter: 0.5 mm |
| Packed | Squalane | 100. | 1046. | Cook and Raushel, 1972 | He, Chromosorb W AW DMCS (80-100 mesh) |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 1042.0 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | E-301 | 100. | 1054. | Bermejo, Moinelo, et al., 1980 | N2; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 100. | 1049. | Bermejo, Moinelo, et al., 1980 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 1044. | Zenkevich, 2001 | N2, 4. K/min; Column length: 25. m; Column diameter: 0.20 mm; 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.
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]
Bermejo, Blanco, et al., 1986
Bermejo, J.; Blanco, C.G.; Guillén, M.D.,
Gas chromatography of deuterated and protiated chloro derivatives of 1,4-dimethylbenzene,
J. Chromatogr., 1986, 351, 425-432, https://doi.org/10.1016/S0021-9673(01)83520-2
. [all data]
Cook and Raushel, 1972
Cook, L.E.; Raushel, F.M.,
Calculation of retention indices for benzene and benzene derivatives on the basis of molecular structure,
J. Chromatogr., 1972, 65, 3, 556-559, https://doi.org/10.1016/S0021-9673(00)85001-3
. [all data]
Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946
. [all data]
Bermejo, Moinelo, et al., 1980
Bermejo, J.; Moinelo, S.R.; Suarez Canga, C.,
Calculo de indices de retencion a patir de DI y de la polaridad de la fase, Calculo de indices de retencion a patir de DI y de la polaridad de la fase, Instituto Nacional del Carbon y sus Derivados Francisco Pintado Fe (INCAR), La Corredoria, Oviedo, Espana, 1980, 13. [all data]
Zenkevich, 2001
Zenkevich, I.G.,
Interpretation of Gas Chromatographic Retention Indices in estimation of Structures of Isomeric Products of Radical Chlorinating of Alkyl Arenes,
Zh. Org. Khim., 2001, 37, 2, 283-293. [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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