1-Heptanol
- Formula: C7H16O
- Molecular weight: 116.2013
- IUPAC Standard InChIKey: BBMCTIGTTCKYKF-UHFFFAOYSA-N
- CAS Registry Number: 111-70-6
- 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. - Species with the same structure:
- Other names: Heptyl alcohol; n-Heptan-1-ol; n-Heptanol; n-Heptyl alcohol; Enanthic alcohol; Gentanol; 1-Hydroxyheptane; n-C7H15OH; Heptan-1-ol; Heptane-1-ol; Heptyl alcohol, n-; n-Heptanol-1; l'Alcool n-heptylique primaire; Alcohol C7; Enanthyl alcohol; 1-Heptyl alcohol; Heptanol-1; NSC 3703; 1-HeptanoI
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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 | Packed | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PMS-1000 | SE-30 | OV-101 | OV-101 | OV-1 |
Column length (m) | 2. | 40. | 20. | 20. | 25. |
Carrier gas | N2 | He | |||
Substrate | Chromaton N-AW-DMCS | ||||
Column diameter (mm) | 0.35 | 0.5 | 0.5 | 0.31 | |
Phase thickness (μm) | 0.35 | 0.52 | |||
Temperature (C) | 90. | 100. | 150. | 180. | 60. |
I | 942. | 951.6 | 933.2 | 939.6 | 954.9 |
Reference | Arutyunov, Kudryashov, et al., 2004 | Tudor, 1997 | Cha and Lee, 1994 | Cha and Lee, 1994 | Guan, Kiraly, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-1 | SE-54 | SE-54 | CP Sil 5 CB | SE-30 |
Column length (m) | 25. | 25. | 25. | 30. | 25. |
Carrier gas | He | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.31 | 0.31 | 0.31 | 0.25 | 0.33 |
Phase thickness (μm) | 0.52 | 0.52 | 0.52 | 0.25 | |
Temperature (C) | 75. | 60. | 75. | 240. | 180. |
I | 952.8 | 971.1 | 969.2 | 981. | 950. |
Reference | Guan, Kiraly, et al., 1989 | Guan, Kiraly, et al., 1989 | Guan, Kiraly, et al., 1989 | Hanai and Hong, 1989 | 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 | |||||
Substrate | |||||
Column diameter (mm) | 0.33 | 0.33 | 0.33 | 0.33 | 0.33 |
Phase thickness (μm) | |||||
Temperature (C) | 100. | 120. | 160. | 180. | 80. |
I | 951. | 950. | 938. | 966. | 960. |
Reference | Haken and Korhonen, 1985 | Haken and Korhonen, 1985 | Haken and Korhonen, 1985 | Haken and Korhonen, 1985 | Haken and Korhonen, 1985 |
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 | Apiezon L | Apiezon L |
Column length (m) | 3. | 2. | 3.7 | ||
Carrier gas | Ar | ||||
Substrate | Gas Chrom Q (80-100 mesh) | Gaschrom Q | Celatom AW silanized | Celite 545 | Celite 545 |
Column diameter (mm) | |||||
Phase thickness (μm) | |||||
Temperature (C) | 150. | 100. | 150. | 120. | 160. |
I | 955. | 955. | 953. | 932. | 942. |
Reference | Tiess, 1984 | Winskowski, 1983 | Haken, Nguyen, et al., 1979 | Bogoslovsky, Anvaer, et al., 1978 | Bogoslovsky, Anvaer, et al., 1978 |
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) | 1. | 1. | 1. | 2. | 2. |
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) | Chromosorb W | Chromosorb W |
Column diameter (mm) | |||||
Phase thickness (μm) | |||||
Temperature (C) | 100. | 120. | 140. | 100. | 140. |
I | 960. | 958. | 956. | 945. | 955. |
Reference | Pías and Gascó, 1975 | Pías and Gascó, 1975 | Pías and Gascó, 1975 | Zarazir, Chovin, et al., 1970 | Zarazir, Chovin, et al., 1970 |
Comment | MSDC-RI | MSDC-RI | 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.
Arutyunov, Kudryashov, et al., 2004
Arutyunov, Y.I.; Kudryashov, S.Y.; Onuchak, L.A.,
Analysis of Mixtures Containing Unknown Components by Gas Chromatography: Determination of Molecular Mass,
J. Anal. Chem. USSR (Engl. Transl.), 2004, 59, 4, 358-365. [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]
Cha and Lee, 1994
Cha, K.-W.; Lee, D.-J.,
Prediction of retention indices of various compounds in gas-liquid chromatography,
J. Korean Chem. Soc., 1994, 38, 2, 108-120, retrieved from http://journal.kcsnet.or.kr/publi/dh/dh94n2/108.pdf. [all data]
Guan, Kiraly, et al., 1989
Guan, Y.; Kiraly, J.; Rijks, J.A.,
Interactive retention index database for compound identification in temperature-programmed capillary gas chromatography,
J. Chromatogr., 1989, 472, 129-143, https://doi.org/10.1016/S0021-9673(00)94101-3
. [all data]
Hanai and Hong, 1989
Hanai, T.; Hong, C.,
Structure-retention correlation in CGC,
J. Hi. Res. Chromatogr., 1989, 12, 5, 327-332, https://doi.org/10.1002/jhrc.1240120517
. [all data]
Korhonen, 1986
Korhonen, I.O.O.,
Gas-Liquid Chromatographic Analyses. XLVIII. Benzyl, (±)-1-Phenylethyl and 2-Phenylethyl Alcohols and the Corresponding Esters of Benzoic Acid and Its 2-, 3- and 4-Chloro, Pentafluoro, 4-Nitro and 3,5-Dinitro Derivatives on SE-30 and OV-351 Capillary Columns,
J. Chromatogr., 1986, 363, 277-292. [all data]
Haken and Korhonen, 1985
Haken, J.K.; Korhonen, I.O.O.,
Gas chromatography of homologous esters. XXVII. Retention increments of C1-C18 primary alkanols and their 2-chloropropanoyl and 3-chloropropanoyl derivatives on SE-30 and OV-351 capillary columns,
J. Chromatogr., 1985, 319, 131-142, https://doi.org/10.1016/S0021-9673(01)90548-5
. [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]
Winskowski, 1983
Winskowski, J.,
Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren,
Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041
. [all data]
Haken, Nguyen, et al., 1979
Haken, J.K.; Nguyen, A.; Wainwright, M.S.,
Application of linear extrathermodynamic relationships to alcohols, aldehydes, ketones, amd ethoxy alcohols,
J. Chromatogr., 1979, 179, 1, 75-85, https://doi.org/10.1016/S0021-9673(00)80658-5
. [all data]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [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]
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
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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