Hexanoic acid, 2-ethyl-
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChI: InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
- IUPAC Standard InChIKey: OBETXYAYXDNJHR-UHFFFAOYSA-N
- CAS Registry Number: 149-57-5
- 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: α-Ethylcaproic acid; α-Ethylhexanoic acid; Butylethylacetic acid; Ethylhexanoic acid; Ethylhexoic acid; 2-Butylbutanoic acid; 2-Ethylcaproic acid; 2-Ethylhexanoic acid; 2-Ethylhexoic acid; 3-Heptanecarboxylic acid; Kyselina 2-ethylkapronova; Kyselina heptan-3-karboxylova; 2-Ethyl-1-hexanoic acid; 2-Ethylcapronic acid; NSC 8881
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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- Other data available:
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Gas phase thermochemistry data
Go To: Top, IR Spectrum, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -559.5 ± 2.1 | kJ/mol | Ccr | Stridh, 1976 |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, IR Spectrum, 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 | DB-1 | 170. | 1085.19 | Kuhn, 2001 | 30. m/0.53 mm/3. μm, He |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1116.7 | Zeng, Zhao, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C |
| Capillary | DB-5 | 1123. | Nogueira, Bittrich, et al., 2001 | 30. m/0.25 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 1128.0 | Siegmund, Derler, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 5.3 K/min, 280. C @ 5. min; Tstart: 35. C |
| Capillary | DB-5 | 1123. | Moio L., Rillo L., et al., 1996 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C |
| Packed | SE-30 | 1161. | Peng, Ding, et al., 1988 | He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1128. | Triqui and Reineccius, 1995 | 30. m/0.25 mm/1. μm, He; Program: 35C (2min) => 40C/min => 50C (1min) => 6C/min => 250C (10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1962.5 | Siegmund, Derler, et al., 2001 | 30. m/0.32 mm/0.5 μm, He, 1.1 K/min, 250. C @ 10. min; Tstart: 35. C |
| Capillary | DB-Wax | 1914. | Ollé, Baumes, et al., 1998 | 30. m/0.32 mm/0.5 μm, 40. C @ 3. min, 3. K/min, 245. C @ 20. min |
| Capillary | DB-Wax | 1969. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C |
| Capillary | DB-Wax | 1950. | Shiratsuchi, Shimoda, et al., 1994 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1965. | Sing, Smadja, et al., 1992 | 60. m/0.25 mm/0.25 μm, He; Program: 20C(0.5min) => 60C => 4C/min => 250C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5 MS | 1124. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
| Capillary | VF-5 MS | 1126. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
| Capillary | HP-5 MS | 1140. | Jerkovic and Marijanovic, 2010 | 30. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min |
| Capillary | HP-5 MS | 1122. | Pino, Marquez, et al., 2010 | 30. m/0.32 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 240. C @ 10. min |
| Capillary | HP-5 MS | 1108. | Radulovic, Dordevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
| Capillary | HP-5 | 1126. | Saidana, Mahjoub, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min |
| Capillary | DB-5 | 1114. | Ozel, Gogus, et al., 2006 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 0.5 min, 5. K/min, 280. C @ 2. min |
| Capillary | SPB-5 | 1105. | Sebastian, Viallon-Fernandez, et al., 2003 | 60. m/0.32 mm/1.0 μm, Helium, 3. K/min; Tstart: 30. C; Tend: 230. C |
| Capillary | Ultra-2 | 1126. | King, Matthews, et al., 1995 | 50. m/0.32 mm/0.52 μm, He, 40. C @ 3. min, 4. K/min, 250. C @ 30. min |
| Capillary | Ultra-2 | 1139. | King, Hamilton, et al., 1993 | 50. m/0.32 mm/0.52 μm, He, 40. C @ 3. min, 4. K/min, 250. C @ 30. min |
| Capillary | DB-5 | 1123. | Moio, Dekimpe, et al., 1993 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 1128. | Robinson, Adams, et al., 2012 | Program: not specified |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 1130. | Robinson, Adams, et al., 2012 | Program: not specified |
| Capillary | Siloxane, 5 % Ph | 1104. | VOC BinBase, 2012 | Program: not specified |
| Capillary | Polydimethyl siloxane, 5 % phenyl | 1104. | Skogerson, Wohlgemuth, et al., 2011 | Program: not specified |
| Capillary | HP-5 MS | 1122. | Pino, Marquez, et al., 2010 | 30. m/0.32 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-1 | 1097. | Delort and Jaquier, 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min) |
| Capillary | HP-5 | 1128. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
| Capillary | SE-54 | 1126. | Um, Bailey, et al., 1992 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 35 0C (5 min) 8 0C/min -> 200 0C 2 0C/min -> 250 0C |
| Capillary | OV-1 | 1117. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-FFAP | 1965. | Wanakhachornkrai and Lertsiri, 9999 | 25. m/0.32 mm/0.50 μm, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C |
| Capillary | HP-FFAP | 1968. | Wanakhachornkrai and Lertsiri, 9999 | 25. m/0.32 mm/0.50 μm, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C |
| Capillary | HP-FFAP | 1968. | Wanakhachornkrai and Lertsiri, 9999 | 25. m/0.32 mm/0.50 μm, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C |
| Capillary | CP Wax 52 CB | 1910. | Chen, Chyau, et al., 2007 | 60. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 220. C |
| Capillary | RTX-Wax | 1934. | Prososki, Etzel, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min |
| Capillary | DB-Wax Etr | 1960. | Ibarz, Ferreira, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 230. C @ 100. min |
| Capillary | HP-FFAP | 1968. | Wanakhachornkrai and Lertsiri, 2003 | 25. m/0.32 mm/0.5 μm, He, 15. K/min; Tstart: 45. C; Tend: 220. C |
| Capillary | HP-FFAP | 1968. | Wanakhachornkrai and Lertsiri, 2003 | 25. m/0.32 mm/0.5 μm, He, 15. K/min; Tstart: 45. C; Tend: 220. C |
| Capillary | HP-FFAP | 1965. | Wanakhachornkrai and Lertsiri, 2003 | 25. m/0.32 mm/0.5 μm, He, 15. K/min; Tstart: 45. C; Tend: 220. C |
| Capillary | TC-Wax | 1937. | Suhardi, Suzuki, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 230. C @ 10. min |
| Capillary | DB-Wax | 1933. | Iwatsuki, Mizota, et al., 1999 | 4. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C |
| Capillary | DB-Wax | 1928. | Iwatsuki, Mizota, et al., 1999 | 4. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C |
| Capillary | DB-Wax | 1954. | Sekiwa, Kubota, et al., 1997 | He, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 180. C |
| Capillary | TC-Wax | 1918. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1969. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-Wax | 1974. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-Wax Etr | 1960. | Loskos, Hernandez-Orte, et al., 2007 | 60. m/0.25 mm/0.5 μm, He; Program: 40C(3min) => 10C/min => 90C => 2C/min => 230C (37min) |
| Capillary | BP-20 | 1946. | Pontes, Marques, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C |
| Capillary | BP-20 | 1967. | Pontes, Marques, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C |
Lee's RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 180.8 | Aracil, Font, et al., 2005 | Column length: 60. m; Column diameter: 0.25 mm; Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Stridh, 1976
Stridh, G.,
Enthalpy of formation of 2-ethylhexanoic acid,
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Kuhn, 2001
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Selectivity vs. polarity: the fundamentals of chromatographic separation,
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Zeng, Zhao, et al., 2007
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Comparative analysis of volatile components from Clematis species growing in China,
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Nogueira, Bittrich, et al., 2001
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The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae),
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Siegmund, Derler, et al., 2001
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Changes in the aroma of a strawberry drink during storage,
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Changes in flavor profiles with ripening of anchovy (Engraulis encrasicholus),
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Comparison of free and glycosidically linked volatile components from polyembryonic and monoembryonic mango (Mangifera indica L.) cultivars,
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Volatile flavor compounds in spray-dried skim milk powder,
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Notes
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- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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