Acetic acid, hexyl ester
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChIKey: AOGQPLXWSUTHQB-UHFFFAOYSA-N
- CAS Registry Number: 142-92-7
- 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. - Isotopologues:
- Other names: n-Hexyl acetate; Hexyl acetate; Hexyl ethanoate; 1-Hexyl acetate; Acetic acid n-hexyl ester; n-Hexyl ethanoate; Hexyl alcohol, acetate; Hexylester kyseliny octove; Hexyl ester of acetic acid; NSC 7323; FEMA No. 2565
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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 | OV-1 | DB-1 | DB-5 | HP-1 | HP-1 |
Column length (m) | 30. | 60. | 6. | 6. | |
Carrier gas | N2 | N2 | He | He | |
Substrate | |||||
Column diameter (mm) | 0.256 | 0.321 | 0.310 | 0.310 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.52 | 0.52 | |
Temperature (C) | 333. | 80. | 80. | 20. | 20. |
I | 996.5 | 988.13 | 1010.21 | 979.2 | 984.6 |
Reference | Hu, Lu, et al., 2006 | Mijin and Antonovic, 2006 | Mijin and Antonovic, 2006 | Koutek, Cvacka, et al., 2001 | Koutek, Cvacka, et al., 2001 |
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-54 | SE-54 | SE-54 |
Column length (m) | 40. | 15. | 15. | 15. | |
Carrier gas | Ar | Ar | Ar | ||
Substrate | |||||
Column diameter (mm) | 0.35 | 0.28 | 0.28 | 0.28 | |
Phase thickness (μm) | 0.35 | 2.5 | 2.5 | 2.5 | |
Temperature (C) | 100. | 100. | 110. | 130. | 150. |
I | 993. | 993.1 | 1010.9 | 1009.8 | 1008.7 |
Reference | Tudor and Moldovan, 1999 | Tudor, 1997 | Grigor'eva, Vasil'ev, et al., 1989 | Grigor'eva, Vasil'ev, et al., 1989 | Grigor'eva, Vasil'ev, et al., 1989 |
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 | ||
Substrate | |||||
Column diameter (mm) | 0.33 | 0.33 | 0.33 | 0.22 | |
Phase thickness (μm) | |||||
Temperature (C) | 100. | 100. | 140. | 160. | 100. |
I | 1008. | 1008. | 993. | 1000. | 1006. |
Reference | Tarjan, Nyiredy, et al., 1989 | Haken and Korhonen, 1986 | Haken and Korhonen, 1986 | Haken and Korhonen, 1986 | Haken, Madden, et al., 1983 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Packed | Packed | Packed |
---|---|---|---|---|---|
Active phase | OV-101 | OV-101 | SE-30 | SE-30 | SE-30 |
Column length (m) | 15. | 15. | 3.7 | 3.7 | 2. |
Carrier gas | N2 | N2 | |||
Substrate | Celaton (62-72 mesh) | Chromosorb W | |||
Column diameter (mm) | 0.22 | 0.22 | |||
Phase thickness (μm) | |||||
Temperature (C) | 80. | 200. | 150. | 150. | 100. |
I | 990.6 | 991.1 | 988. | 988. | 1002. |
Reference | Komárek, Hornová, et al., 1982 | Komárek, Hornová, et al., 1982 | Haken, Ho, et al., 1975 | Ashes and Haken, 1974 | Zarazir, Chovin, et al., 1970 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed |
---|---|
Active phase | SE-30 |
Column length (m) | 2. |
Carrier gas | |
Substrate | Chromosorb W |
Column diameter (mm) | |
Phase thickness (μm) | |
Temperature (C) | 140. |
I | 999. |
Reference | Zarazir, Chovin, et al., 1970 |
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.
Hu, Lu, et al., 2006
Hu, X.-F.; Lu, C.-H.; Yin, C.-S.,
Modeling Gas Chromatographic Retention Indices of Oxygen-containing Compounds by Novel Atom-type Topological Indices,
Chinese Journal of Chemical Physics, 2006, 19, 3, 243-247, https://doi.org/10.1360/cjcp2006.19(3).243.5
. [all data]
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]
Koutek, Cvacka, et al., 2001
Koutek, B.; Cvacka, J.; Streinz, L.; Vrkocová, P.; Doubský, J.; Simonová, H.; Feltl, L.; Svoboda, V.,
Comparison of methods employing gas chromatography retention data to determine vapour pressures at 298 K,
J. Chromatogr. A, 2001, 923, 1-2, 137-152, https://doi.org/10.1016/S0021-9673(01)00965-7
. [all data]
Tudor and Moldovan, 1999
Tudor, E.; Moldovan, D.,
Temperature Dependence of the Retention Index for Perfumery Compounds on a Se-30 Glass Capillary Column. II. The Hyperbolic Equation,
J. Chromatogr., 1999, 848, 1-2, 215-227, https://doi.org/10.1016/S0021-9673(99)00412-4
. [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]
Grigor'eva, Vasil'ev, et al., 1989
Grigor'eva, D.N.; Vasil'ev, A.V.; Golovnya, R.V.,
Variation in retention indices and equivalent chain lengths of homologous series of n-alkyl acetates, n-alkyl methyl ketones, and methyl esters of aliphatic carboxylic acids as a function of homolog number and analysis temperature,
Zh. Anal. Khim., 1989, 44, 1, 68-73. [all data]
Tarjan, Nyiredy, et al., 1989
Tarjan, G.; Nyiredy, Sz.; Gyor, M.; Lombosi, E.R.; Lombosi, T.S.; Budahegyi, M.V.; Meszaros, S.Y.; Takacs, J.M.,
Review. Thirtieth Anniversary of the Retention Index According to Kovats in Gas-Liquid Chromatography,
J. Chromatogr., 1989, 472, 1-92, https://doi.org/10.1016/S0021-9673(00)94099-8
. [all data]
Haken and Korhonen, 1986
Haken, J.K.; Korhonen, I.O.O.,
Gas chromatography of homologous esters. XXXII. Capillary chromatography of C1-C18 monochlorinated n-alkyl acetates,
J. Chromatogr., 1986, 356, 79-94, https://doi.org/10.1016/S0021-9673(00)91468-7
. [all data]
Haken, Madden, et al., 1983
Haken, J.K.; Madden, B.G.; Korhonen, I.O.O.,
Gas chromatography of homologous esters. XX. Capillary column studies of alkyl acetates, chloroacetates, dichloroacetates and trichloroacetates,
J. Chromatogr., 1983, 256, 221-229, https://doi.org/10.1016/S0021-9673(01)88235-2
. [all data]
Komárek, Hornová, et al., 1982
Komárek, K.; Hornová, L.; Churácek, J.,
Glass capillary gas chromatography of homologous series of esters. Separation of homologous series of esters of halogenated carboxylic acids on a glass capillary column with the non-polar stationary silicone phase OV-101,
J. Chromatogr., 1982, 244, 1, 142-147, https://doi.org/10.1016/S0021-9673(00)80131-4
. [all data]
Haken, Ho, et al., 1975
Haken, J.K.; Ho, D.K.M.; Vaughan, C.E.,
Gas chromatography of homologous esters. VII. The retention behaviour of pyruvate esters and related carbonyl and carboxyl compounds,
J. Chromatogr., 1975, 106, 2, 317-325, https://doi.org/10.1016/S0021-9673(00)93839-1
. [all data]
Ashes and Haken, 1974
Ashes, J.R.; Haken, J.K.,
Gas chromatography of homologous esters. VI. Structure-retention increments of aliphatic esters,
J. Chromatogr., 1974, 101, 1, 103-123, https://doi.org/10.1016/S0021-9673(01)94737-5
. [all data]
Zarazir, Chovin, et al., 1970
Zarazir, D.; Chovin, P.; Guiochon, G.,
Identification of hydroxylic compounds and their derivatives by gas chromatography,
Chromatographia, 1970, 3, 4, 180-195, https://doi.org/10.1007/BF02269018
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
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