Benzoic acid, pentyl ester
- Formula: C12H16O2
- Molecular weight: 192.2542
- IUPAC Standard InChIKey: QKNZNUNCDJZTCH-UHFFFAOYSA-N
- CAS Registry Number: 2049-96-9
- 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: n-Pentyl benzoate; Amyl benzoate; Pentyl benzoate; Benzoic acid, amyl ester; n-Amyl benzoate
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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. | 25. | 25. | 25. |
Carrier gas | N2 | N2 | N2 | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.256 | 0.321 | 0.33 | 0.33 | 0.33 |
Phase thickness (μm) | 0.25 | 0.25 | |||
Temperature (C) | 170. | 170. | 160. | 180. | 200. |
I | 1440.46 | 1462.27 | 1458. | 1454. | 1455. |
Reference | Mijin and Antonovic, 2006 | Mijin and Antonovic, 2006 | Korhonen, 1986 | 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. | 25. |
Carrier gas | N2 | N2 | N2 | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.33 | 0.33 | 0.33 | 0.33 | 0.33 |
Phase thickness (μm) | |||||
Temperature (C) | 220. | 240. | 160. | 180. | 200. |
I | 1465. | 1480. | 1458. | 1467. | 1474. |
Reference | Korhonen, 1986 | Korhonen, 1986 | Korhonen and Lind, 1985 | Korhonen and Lind, 1985 | Korhonen and Lind, 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Packed | Packed |
---|---|---|---|
Active phase | SE-30 | SE-30 | SE-30 |
Column length (m) | 1. | 1. | 1. |
Carrier gas | Ar | Ar | Ar |
Substrate | Chromosorb W AW DMCS HP (80-100 mesh) | Chromosorb W AW DMCS HP (80-100 mesh) | Chromosorb W AW DMCS HP (80-100 mesh) |
Column diameter (mm) | |||
Phase thickness (μm) | |||
Temperature (C) | 100. | 120. | 140. |
I | 1440. | 1447. | 1456. |
Reference | Pías and Gascó, 1975 | Pías and Gascó, 1975 | Pías and Gascó, 1975 |
Comment | MSDC-RI | MSDC-RI | 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]
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 and Lind, 1985
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]
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
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.