Benzoic acid, ethyl ester
- Formula: C9H10O2
- Molecular weight: 150.1745
- IUPAC Standard InChIKey: MTZQAGJQAFMTAQ-UHFFFAOYSA-N
- CAS Registry Number: 93-89-0
- 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 benzenecarboxylate; Ethyl benzoate; Benzoic ether; Essence of niobe; Ethylester kyseliny benzoove; 2-methoxy-1-phenyl-ethanone
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Kovats' RI, non-polar column, isothermal
Go To: Top, 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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-5 | SE-30 | SE-30 | SE-30 |
Column length (m) | 30. | 60. | 40. | 25. | 25. |
Carrier gas | N2 | N2 | N2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.256 | 0.321 | 0.35 | 0.33 | 0.33 |
Phase thickness (μm) | 0.25 | 0.25 | 0.35 | ||
Temperature (C) | 170. | 170. | 100. | 160. | 180. |
I | 1133.38 | 1153.14 | 1148.7 | 1144. | 1142. |
Reference | Mijin and Antonovic, 2006 | Mijin and Antonovic, 2006 | Tudor, 1997 | Korhonen, 1986 | Korhonen, 1986 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | SE-30 | SE-30 | SE-30 | SE-30 |
Column length (m) | 25. | 25. | 25. | 25. | |
Carrier gas | N2 | N2 | N2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.33 | 0.22 | 0.22 | 0.22 | |
Phase thickness (μm) | |||||
Temperature (C) | 200. | 140. | 160. | 180. | 140. |
I | 1142. | 1174. | 1147. | 1169. | 1166. |
Reference | Korhonen, 1986 | Korhonen, 1986, 2 | Korhonen, 1986, 2 | Korhonen, 1986, 2 | Korhonen and Lind, 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | SE-30 | SE-30 | SE-30 | SE-30 |
Column length (m) | 25. | 25. | 25. | ||
Carrier gas | N2 | N2 | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.33 | 0.33 | 0.33 | ||
Phase thickness (μm) | |||||
Temperature (C) | 160. | 180. | 160. | 180. | 200. |
I | 1157. | 1176. | 1164. | 1176. | 1179. |
Reference | Korhonen and Lind, 1985 | Korhonen and Lind, 1985 | Korhonen and Lind, 1985, 2 | Korhonen and Lind, 1985, 2 | Korhonen and Lind, 1985, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Packed | Packed | Packed | Packed |
---|---|---|---|---|---|
Active phase | SE-30 | SE-30 | SE-30 | SE-30 | SE-30 |
Column length (m) | 3. | 3. | 3.7 | 1. | 1. |
Carrier gas | N2 | Ar | Ar | Ar | |
Substrate | Chromosorb A AW | Gas Chrom Q (80-100 mesh) | Chromosorb W AW DMCS | Chromosorb W AW DMCS HP (80-100 mesh) | Chromosorb W AW DMCS HP (80-100 mesh) |
Column diameter (mm) | |||||
Phase thickness (μm) | |||||
Temperature (C) | 180. | 150. | 200. | 100. | 120. |
I | 1178. | 1160. | 1171. | 1152. | 1157. |
Reference | Oszczapowicz, Osek, et al., 1985 | Tiess, 1984 | Haken, Hartley, et al., 1983 | Pías and Gascó, 1975 | Pías and Gascó, 1975 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed |
---|---|
Active phase | SE-30 |
Column length (m) | 1. |
Carrier gas | Ar |
Substrate | Chromosorb W AW DMCS HP (80-100 mesh) |
Column diameter (mm) | |
Phase thickness (μm) | |
Temperature (C) | 140. |
I | 1164. |
Reference | Pías and Gascó, 1975 |
Comment | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mijin and Antonovic, 2006
Mijin, D.; Antonovic, D.G.,
The temperature dependence of the retention index for n-alkyl esters of acetic, propionic, cyclohexanecarboxylic, benzoic and phenylacetic acid on DB-1 and DB-5 capillary columns,
J. Serb. Chem. Soc., 2006, 71, 6, 629-637, https://doi.org/10.2298/JSC0606629M
. [all data]
Tudor, 1997
Tudor, E.,
Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6
. [all data]
Korhonen, 1986
Korhonen, I.O.O.,
Gas-Liquid Chromatographic Analyses. XLV. Retention Behaviour of C1-C12 n-Alkyl Esters of Benzoic, 4-Nitrobenzoic and 3,5-Dinitrobenzoic Acids on SE-30 and OV-351 Capillary Columns,
J. Chromatogr., 1986, 356, 285-299, https://doi.org/10.1016/S0021-9673(00)91489-4
. [all data]
Korhonen, 1986, 2
Korhonen, I.O.O.,
Gas-Liquid Chromatographic Analyses. XLVII. Retention Increments of Some Lower Saturated Branched-Chain, Unsaturated and Chlorinated Esters of Benzoic, 4-Nitrobenzoic and 3,5-Dinitrobenzoic Acids on SE-30 and OV-351 Capillary Columns,
J. Chromatogr., 1986, 360, 63-78, https://doi.org/10.1016/S0021-9673(00)91652-2
. [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]
Tiess, 1984
Tiess, D.,
Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30,
Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [all data]
Haken, Hartley, et al., 1983
Haken, J.K.; Hartley, H.N.T.; Srisukh, D.,
Retention increments of aromatic esters,
Chromatographia, 1983, 17, 11, 589-596, https://doi.org/10.1007/BF02261941
. [all data]
Pías and Gascó, 1975
Pías, J.B.; Gascó, L.,
GC Retention Data of Alcohols and Benzoyl Derivatives of Alcohols,
J. Chromatogr. - Chrom. Data, 1975, d14-d16. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
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