Benzoic acid, 3-chloro-, ethyl ester
- Formula: C9H9ClO2
- Molecular weight: 184.620
- IUPAC Standard InChI: InChI=1S/C9H9ClO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
- IUPAC Standard InChIKey: LVFRSNCBCHABAM-UHFFFAOYSA-N
- CAS Registry Number: 1128-76-3
- 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: Benzoic acid, m-chloro-, ethyl ester; Ethyl m-chlorobenzoate; Ethyl 3-chlorobenzoate; 3-Chlorobenzoic acid, ethyl ester
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Mass spectrum (electron ionization)
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: 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. |
|---|---|
| NIST MS number | 7817 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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: 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. | 1317. | Korhonen and Lind, 1985 | |
| Capillary | SE-30 | 160. | 1318. | Korhonen and Lind, 1985 | |
| Capillary | SE-30 | 180. | 1335. | Korhonen and Lind, 1985 | |
| Capillary | SE-30 | 160. | 1323. | 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 |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-351 | 160. | 1887. | 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. | 1909. | 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 | 1316. | Korhonen and Lind, 1985 | 2. K/min; Tstart: 100. C; Tend: 280. C |
| Capillary | SE-30 | 1305. | Korhonen and Lind, 1985 | 6. K/min; Tstart: 100. C; Tend: 280. C |
| Capillary | SE-30 | 1318. | 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 | 1305. | 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 | 1314. | 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 | 1832. | 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 | 1850. | 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, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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