1-Octanamine
- Formula: C8H19N
- Molecular weight: 129.2432
- IUPAC Standard InChI: InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
- IUPAC Standard InChIKey: IOQPZZOEVPZRBK-UHFFFAOYSA-N
- CAS Registry Number: 111-86-4
- 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: Octylamine; n-Octylamine; Armeen 8; Caprylamine; Caprylylamine; 1-Aminooctane; 1-Octylamine; n-C8H17NH2; n-Octylamine, mono-; Monooctylamine; Octanamine; Amine 8D; Monoctylamine; NSC 9824
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 222.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 213.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Proton affinity at 298K
| Proton affinity (kcal/mol) | Reference | Comment |
|---|---|---|
| 221.1 | Wang, Chu, et al., 1999 | KM results obtained from CID of complexes with other primary amines at E(cm) = 0 eV, extrapolated from CID at E(cm) = 0.8, 1.5, 2.0 eV; MM |
| 221.0 | Wang, Chu, et al., 1999 | KM results obtained from CID of complexes with other primary amines using Fenselau/Wesdemiotis correction; MM |
Gas basicity at 298K
| Gas basicity (review) (kcal/mol) | Reference | Comment |
|---|---|---|
| 210.2 ± 2.2 | Gross, Rodriguez-Cruz, et al., 1995 | T = 300K; 3-Fluoropyridine; i-Propylamine. Reference GBs readjusted to Hunter and Lias, 1998. Cited uncertainty is half of the ΔGB between the bracketing bases; MM |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.5 | PE | Aue and Bowers, 1979 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-NW- 666 |
| NIST MS number | 229179 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 |
|---|---|---|---|---|---|
| Packed | SE-30 | 170. | 993. | Voelkel, 1987 | He, Chromaton N Super (75-100 mesh); Column length: 1. m |
| Packed | SE-30 | 180. | 1038. | Oszczapowicz, Osek, et al., 1985 | N2, Chromosorb A AW; Column length: 3. m |
| Packed | Apiezon L | 100. | 1041. | Golovnya and Zhuravleva, 1973 | |
| Packed | Apiezon L | 130. | 1022. | Landault and Guiochon, 1964 | Teflon-Haloport; Column length: 2.26 m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | PEG-2000 | 150. | 1320. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
| Packed | PEG-2000 | 152. | 1320. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
| Packed | PEG-2000 | 179. | 1318. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
| Packed | PEG-2000 | 180. | 1317. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
| Packed | PEG-2000 | 200. | 1315. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 1038. | Woolley, Markides, et al., 1986 | 20. m/0.05 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 180. C |
| Capillary | SE-54 | 1042. | Woolley, Markides, et al., 1986 | 20. m/0.05 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 180. C |
| Capillary | SE-54 | 1043. | Woolley, Markides, et al., 1986 | 20. m/0.05 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 180. C |
| Capillary | SE-54 | 1044. | Woolley, Markides, et al., 1986 | 20. m/0.05 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 180. C |
| Capillary | SE-54 | 1046. | Woolley, Markides, et al., 1986 | 20. m/0.05 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 180. C |
| Capillary | SE-54 | 1047. | Woolley, Markides, et al., 1986 | 20. m/0.05 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 180. C |
| Capillary | SE-54 | 1047. | Woolley, Markides, et al., 1986 | 20. m/0.05 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 180. C |
| Capillary | SE-54 | 1049. | Woolley, Markides, et al., 1986 | 20. m/0.05 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 180. C |
| Capillary | SE-54 | 1051. | Woolley, Markides, et al., 1986 | 20. m/0.05 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 180. C |
| Capillary | SE-54 | 1057. | Woolley, Markides, et al., 1986 | 20. m/0.05 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 180. C |
| Capillary | SE-54 | 1058. | Woolley, Markides, et al., 1986 | 20. m/0.05 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 180. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1032. | Peng, 2000 | 15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Wax | 1316. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 1028. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 1041. | Chen and Feng, 2007 | Program: not specified |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Wang, Chu, et al., 1999
Wang, Z.; Chu, I.K.; Rodriquez, C.F.; Hopkinson, A.C.; Siu, K.W.M.,
α,ω-Diaminoalkanes as models for bases that dicoordinate the proton: An evaluation of the kinetic method for estimating their proton affinities,
J. Phys. Chem. A., 1999, 103, 8700. [all data]
Gross, Rodriguez-Cruz, et al., 1995
Gross, D.S.; Rodriguez-Cruz, S.E.; Bock, S.; Williams, E.R.,
Measurement of the Coulomb Energy and Dielectric Polarizability of Gas-Phase Diprotonated Diaminoalkanes,
J. Phys. Chem., 1995, 99, 4034. [all data]
Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T.,
Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements
in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]
Voelkel, 1987
Voelkel, A.,
Retention Indices and Thermodynamic Functions of Solution for Model Non-Ionic Surfactants in Standard Stationary Phases Determined by Gas Chromatography,
J. Chromatogr., 1987, 387, 95-104, https://doi.org/10.1016/S0021-9673(01)94516-9
. [all data]
Oszczapowicz, Osek, et al., 1985
Oszczapowicz, J.; Osek, J.; Ciszkowski, K.; Krawczyk, W.; Ostrowski, M.,
Retention Indices of Dimethylbenzamidines and Benzylideneamines on a Non-Polar Column,
J. Chromatogr., 1985, 330, 79-85, https://doi.org/10.1016/S0021-9673(01)81964-6
. [all data]
Golovnya and Zhuravleva, 1973
Golovnya, R.V.; Zhuravleva, I.L.,
Gas Chromatographic Method of Identification of n-Aliphatic Amines Through the Use of Donor-Acceptor Interaction with Phosphate,
Chromatographia, 1973, 6, 12, 508-513, https://doi.org/10.1007/BF02269131
. [all data]
Landault and Guiochon, 1964
Landault, C.; Guiochon, G.,
Separation des amines par chromatographie gaz-liquide en utilisant le teflon comme support,
J. Chromatogr., 1964, 13, 327-336, https://doi.org/10.1016/S0021-9673(01)95126-X
. [all data]
Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L.,
Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases,
Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]
Woolley, Markides, et al., 1986
Woolley, C.L.; Markides, K.E.; Lee, M.L.; Bartle, K.D.,
Deactivation of small diameter fused silica capillary columns with organosilicon hydrides,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 9, 506-514, https://doi.org/10.1002/jhrc.1240090904
. [all data]
Peng, 2000
Peng, C.T.,
Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index,
J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Chen and Feng, 2007
Chen, Y.; Feng, C.,
QSPR study on gas chromatography retention index of some organic pollutants,
Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
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