Benzene, 1-chloro-4-ethyl-
- Formula: C8H9Cl
- Molecular weight: 140.610
- IUPAC Standard InChI: InChI=1S/C8H9Cl/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
- IUPAC Standard InChIKey: GPOFSFLJOIAMSA-UHFFFAOYSA-N
- CAS Registry Number: 622-98-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: p-Chloroethylbenzene; 1-Chloro-4-ethylbenzene; 4-Chloro-1-ethylbenzene; 4-Ethylchlorobenzene; 4-Chloroethylbenzene
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Reaction thermochemistry data
Go To: Top, Gas Chromatography, 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
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
=
By formula: C8H9Cl = C8H9Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -1.3 ± 1.3 | kJ/mol | Eqk | Kovzel, Nesterova, et al., 1982 | liquid phase |
=
By formula: C8H9Cl = C8H9Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -0.9 ± 0.8 | kJ/mol | Eqk | Kovzel, Nesterova, et al., 1982 | liquid phase |
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 |
|---|---|---|---|---|---|
| Packed | E-301 | 140. | 1055. | Skobeleva and Shevchenko, 1976 | |
| Packed | E-301 | 160. | 1067. | Skobeleva and Shevchenko, 1976 |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 200. | 1455. | Vernon and Suratman, 1983 | He, Silanized white support; Column length: 2. m |
| Packed | PEG-20M | 150. | 1460. | Skobeleva and Shevchenko, 1976 | Chromaton N AW DMCS; Column length: 4. m |
| Packed | PEG-20M | 170. | 1495. | Skobeleva and Shevchenko, 1976 | Chromaton N AW DMCS; Column length: 4. m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 1028. | Zenkevich, 2001 | N2, 4. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 60. C; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxanes | 1031. | Zenkevich and Chupalov, 1996 | Program: not specified |
References
Go To: Top, Reaction thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kovzel, Nesterova, et al., 1982
Kovzel, E.N.; Nesterova, T.N.; Rozhnov, A.M.,
Heats of formation of ethylchlorobenzenes, Deposited Document, SPSTL 371 Khp-D80. Chem. Abst. 97:5737h, 1982, 1-6. [all data]
Skobeleva and Shevchenko, 1976
Skobeleva, V.D.; Shevchenko, N.A.,
Characteristics of gas-chromatographic separation and dissolution of chloroethylbenzenes in standard liquid phases,
Zh. Anal. Khim., 1976, 31, 1551-1554. [all data]
Vernon and Suratman, 1983
Vernon, F.; Suratman, J.B.,
The retention index system applied to alkylbenzenes and monosubstituted derivatives,
Chromatographia, 1983, 17, 11, 600-604, https://doi.org/10.1007/BF02261943
. [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]
Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A.,
New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments,
Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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