Octanoic acid
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChI: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
- IUPAC Standard InChIKey: WWZKQHOCKIZLMA-UHFFFAOYSA-N
- CAS Registry Number: 124-07-2
- 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-Caprylic acid; n-Octanoic acid; n-Octoic acid; n-Octylic acid; Neo-Fat 8; Caprylic acid; Enantic acid; Octylic acid; 1-Heptanecarboxylic acid; Heptane-1-carboxylic acid; Octic acid; Hexacid 898; C-8 Acid; Kyselina kaprylova; Lunac 8-95; Emery 657; Octoic acid; Prifac 2901; 1-Octanoic acid; NSC 5024; Prifrac 2901
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Normal alkane RI, non-polar column, temperature ramp
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 | HP-5 MS | DB-5 | VF-5 MS | VF-5 MS | VF-5 MS |
| Column length (m) | 30. | 25. | 60. | 60. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.20 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 30. | 30. | 40. |
| Tend (C) | 250. | 240. | 260. | 260. | 250. |
| Heat rate (K/min) | 5. | 20. | 2. | 2. | 5. |
| Initial hold (min) | 0.5 | 1. | 3. | ||
| Final hold (min) | 0.5 | 28. | 28. | 3. | |
| I | 1184. | 1142. | 1176. | 1178. | 1174. |
| Reference | Fanaro, Duarte, et al., 2012 | Cais-Sokolinska, Majcher, et al., 2011 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Liu, Lu, et al., 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | HP-5 MS | HP-5 MS | HP-5 MS | HP-5 MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 70. | 50. | 70. | 35. |
| Tend (C) | 200. | 200. | 240. | 290. | 195. |
| Heat rate (K/min) | 3. | 3. | 4. | 5. | 2. |
| Initial hold (min) | 2. | 2. | 2. | 5. | |
| Final hold (min) | 18. | 18. | 10. | 10. | 30. |
| I | 1174. | 1190. | 1179. | 1170. | 1176. |
| Reference | Jerkovic, Hegic, et al., 2010 | Jerkovic and Marijanovic, 2010 | Pino, Marquez, et al., 2010 | Radulovic, Blagojevic, et al., 2010 | Kim and Chung, 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-5 | HP-5 | HP-5 MS | 5 % Phenyl methyl siloxane | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | Nitrogen | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | 0.25 |
| Tstart (C) | 40. | 50. | 50. | 40. | 60. |
| Tend (C) | 250. | 280. | 250. | 250. | 320. |
| Heat rate (K/min) | 20. | 5. | 6.5 | 7. | 10. |
| Initial hold (min) | 5. | 1. | 1.5 | 10. | |
| Final hold (min) | 1. | 10. | 5. | 4. | |
| I | 1226. | 1180. | 1182. | 1179. | 1166. |
| Reference | Pham, Schilling, et al., 2008 | Saidana, Mahjoub, et al., 2008 | Thakeow, Angeli, et al., 2008 | Ramirez R. and Cava R., 2007 | Smelcerovic, Spiteller, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5 | DB-5 | DB-5 | BPX-5 |
| Column length (m) | 25. | 25. | 30. | 30. | 25. |
| Carrier gas | He | N2 | Helium | ||
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.2 | 0.32 | 0.25 | 0.20 |
| Phase thickness (μm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.13 |
| Tstart (C) | 40. | 40. | 40. | 70. | 50. |
| Tend (C) | 250. | 250. | 250. | 230. | 230. |
| Heat rate (K/min) | 5. | 5. | 4. | 2. | 3. |
| Initial hold (min) | 1. | 1. | 2. | 2. | 2. |
| Final hold (min) | 5. | 20. | |||
| I | 1203. | 1203. | 1180. | 1192. | 1160. |
| Reference | Tapia, Perich, et al., 2007 | Tapia, Perich, et al., 2007 | Xu, Fan, et al., 2007 | Choi, 2006 | Fons, Rapior, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | Polymethylsiloxane, (PMS-20000) | DB-5 | HP-5 | HP-5 |
| Column length (m) | 30. | 25. | 30. | 30. | 30. |
| Carrier gas | He | He | N2 | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.20 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 50. | 40. | 40. | 40. |
| Tend (C) | 265. | 250. | 250. | 250. | 250. |
| Heat rate (K/min) | 2.5 | 3. | 4. | 5. | 5. |
| Initial hold (min) | 1. | 3. | 2. | 2. | 2. |
| Final hold (min) | 20. | 5. | 5. | 5. | |
| I | 1158. | 1218. | 1171. | 1182. | 1185. |
| Reference | Iranshahi, Amin, et al., 2006 | Dohou, Yamni, et al., 2005 | Fan and Qian, 2005 | N/A | N/A |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | 5 % Phenyl methyl siloxane | SPB-5 | SPB-5 | RSL-200 |
| Column length (m) | 30. | 0. | 30. | 60. | 30. |
| Carrier gas | Helium | He | He | Helium | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 1. | 0.25 | 1.0 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 30. | 40. |
| Tend (C) | 250. | 250. | 220. | 230. | 280. |
| Heat rate (K/min) | 5. | 7. | 5. | 3. | 6. |
| Initial hold (min) | 2. | 10. | 1. | 5. | |
| Final hold (min) | 5. | 5. | 20. | 5. | |
| I | 1185. | 1179. | 1199. | 1156. | 1169. |
| Reference | N/A | Ramírez, Estévez, et al., 2004 | Ledauphin, Guichard, et al., 2003 | Sebastian, Viallon-Fernandez, et al., 2003 | Jirovetz, Buchbauer, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RSL-200 | SPB-5 | Optima-1 | Optima-1 | HP-5 |
| Column length (m) | 30. | 30. | 25. | 25. | 30. |
| Carrier gas | H2 | Helium | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.20 | 0.20 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 50. | 50. | 40. |
| Tend (C) | 280. | 250. | 250. | 250. | 280. |
| Heat rate (K/min) | 6. | 4. | 3. | 3. | 3. |
| Initial hold (min) | 2. | 2. | 3. | 3. | 10. |
| Final hold (min) | 10. | 20. | 10. | ||
| I | 1167. | 1180. | 1186. | 1183. | 1186. |
| Reference | Jirovetz, Smith, et al., 2002 | Pino, Marbot, et al., 2002 | Brun, Bessière, et al., 2001 | de Beck, Bessière, et al., 2000 | Bicalho, Pereira, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-101 | Methyl Silicone | BP-5 | HP-1 | DB-1 |
| Column length (m) | 50. | 60. | 50. | 25. | 60. |
| Carrier gas | Nitrogen | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 1. | |||
| Tstart (C) | 40. | 40. | 40. | 35. | 30. |
| Tend (C) | 200. | 220. | 190. | 250. | 200. |
| Heat rate (K/min) | 2. | 5. | 2. | 4. | 4. |
| Initial hold (min) | 10. | 10. | 5. | 25. | |
| Final hold (min) | 20. | ||||
| I | 1165. | 1150.00 | 1214. | 1165. | 1162. |
| Reference | Tamura, Boonbumrung, et al., 2000 | Baraldi, Rapparini, et al., 1999 | Ferreira, Ardanuy, et al., 1998 | Ong, Acree, et al., 1998 | Buttery, Ling, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Ultra-2 | Ultra-2 | DB-5 | DB-5 | DB-1 |
| Column length (m) | 50. | 50. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.52 | 0.52 | 1.0 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 40. | 50. |
| Tend (C) | 250. | 250. | 240. | 250. | 240. |
| Heat rate (K/min) | 4. | 4. | 3. | 2. | 3. |
| Initial hold (min) | 3. | 3. | 5. | ||
| Final hold (min) | 30. | 30. | |||
| I | 1189. | 1189. | 1177. | 1183. | 1158. |
| Reference | King, Matthews, et al., 1995 | King, Hamilton, et al., 1993 | Berdague, Denoyer, et al., 1991 | Lee, Macku, et al., 1991 | Shiota, 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-1 |
| Column length (m) | 60. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 50. |
| Tend (C) | 240. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1209. |
| Reference | Shiota, 1991 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fanaro, Duarte, et al., 2012
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Tamura, Boonbumrung, et al., 2000
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Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
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Ong, Acree, et al., 1998
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Characterization of volatiles in rambutan fruit (Nephelium lappaceum L.),
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Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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