Ethyl-4-chlorobenzoate
- Formula: C9H9ClO2
- Molecular weight: 184.620
- IUPAC Standard InChI: InChI=1S/C9H9ClO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
- IUPAC Standard InChIKey: RWBYCMPOFNRISR-UHFFFAOYSA-N
- CAS Registry Number: 7335-27-5
- 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: Ethyl p-chlorobenzoate; Benzoic acid, 4-chloro-, ethyl ester; p-(Ethoxycarbonyl)phenyl chloride; Benzoic acid, p-chloro-, ethyl ester; Parachlorobenzoic acid ethyl ester; 4-Chlorobenzoic acid, ethyl ester
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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 | 510.7 | K | N/A | Weast and Grasselli, 1989 |
IR Spectrum
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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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | SRD/NIST Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | EPA-IR VAPOR PHASE LIBRARY |
| State | gas |
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 | NIST Mass Spectrometry Data Center |
| NIST MS number | 343057 |
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-30 | 140. | 1318. | Korhonen and Lind, 1985 | |
| Capillary | SE-30 | 160. | 1323. | Korhonen and Lind, 1985 | |
| Capillary | SE-30 | 180. | 1336. | Korhonen and Lind, 1985 | |
| Capillary | SE-30 | 160. | 1324. | Korhonen and Lind, 1985, 2 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 180. | 1331. | Korhonen and Lind, 1985, 2 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 200. | 1340. | Korhonen and Lind, 1985, 2 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Packed | SE-30 | 180. | 1327. | Oszczapowicz, Osek, et al., 1985 | N2, Chromosorb A AW; Column length: 3. m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-351 | 160. | 1885. | Korhonen and Lind, 1985, 2 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 180. | 1893. | Korhonen and Lind, 1985, 2 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 200. | 1917. | Korhonen and Lind, 1985, 2 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1316. | Korhonen and Lind, 1985 | 10. K/min; Tstart: 100. C; Tend: 280. C |
| Capillary | SE-30 | 1317. | Korhonen and Lind, 1985 | 2. K/min; Tstart: 100. C; Tend: 280. C |
| Capillary | SE-30 | 1306. | Korhonen and Lind, 1985 | 6. K/min; Tstart: 100. C; Tend: 280. C |
| Capillary | SE-30 | 1320. | Korhonen and Lind, 1985, 2 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 320. C |
| Capillary | SE-30 | 1306. | Korhonen and Lind, 1985, 2 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 320. C |
| Capillary | SE-30 | 1315. | Korhonen and Lind, 1985, 2 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 320. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-351 | 1863. | Korhonen and Lind, 1985, 2 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 230. C |
| Capillary | OV-351 | 1830. | Korhonen and Lind, 1985, 2 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 230. C |
| Capillary | OV-351 | 1849. | Korhonen and Lind, 1985, 2 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 230. C |
References
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes
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]
Korhonen and Lind, 1985
Korhonen, I.O.O.; Lind, M.A.,
Gas-liquid chromatographic analyses. XLI. Ethyl and ω-chloroethyl esters of benzoic and monochlorobenzoic acids on SE-30 and OV-351 capillary columns,
J. Chromatogr., 1985, 325, 433-443, https://doi.org/10.1016/S0021-9673(00)96054-0
. [all data]
Korhonen and Lind, 1985, 2
Korhonen, I.O.O.; Lind, M.A.,
Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids,
J. Chromatogr., 1985, 322, 83-96, https://doi.org/10.1016/S0021-9673(01)97661-7
. [all data]
Oszczapowicz, Osek, et al., 1985
Oszczapowicz, J.; Osek, J.; Ciszkowski, K.; Krawczyk, W.; Ostrowski, M.,
Retention Indices of Dimethylbenzamidines and Benzylideneamines on a Non-Polar Column,
J. Chromatogr., 1985, 330, 79-85, https://doi.org/10.1016/S0021-9673(01)81964-6
. [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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