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1-Octanamine

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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 compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-41.46 ± 0.32kcal/molCcrSteele, Chirico, et al., 1996 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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 compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-54.51 ± 0.30kcal/molCcrSteele, Chirico, et al., 1996ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1346.89 ± 0.23kcal/molCcrSteele, Chirico, et al., 1996ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
73.92298.15Steele, Chirico, et al., 1993DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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 compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil452. ± 7.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus272.75KN/AZvejnieks, 1954Uncertainty assigned by TRC = 0.2 K; TRC
Tfus273.15KN/AHoffman and Smyth, 1949Uncertainty assigned by TRC = 0.5 K; TRC
Tfus272.15KN/ARalston, Hoerr, et al., 1942Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tc641.KN/ASteele, Chirico, et al., 1996, 2Uncertainty assigned by TRC = 3. K; fitting parameter in Wagner equation for vapor pressure; TRC
Quantity Value Units Method Reference Comment
Pc25.83atmN/ASteele, Chirico, et al., 1996, 2Uncertainty assigned by TRC = 3.95 atm; from extrapolation of obs. vapor pressure to Tc; TRC
Quantity Value Units Method Reference Comment
rhoc1.93mol/lN/ASteele, Chirico, et al., 1996, 2Uncertainty assigned by TRC = 0.23 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap13.06 ± 0.23kcal/molVSteele, Chirico, et al., 1996ALS
Deltavap13.0kcal/molN/ASteele, Chirico, et al., 1996DRB
Deltavap13.1 ± 0.1kcal/molEBSteele, Chirico, et al., 1996Based on data from 343. - 494. K.; AC
Deltavap13.0kcal/molCGCChickos, Hosseini, et al., 1995Based on data from 323. - 373. K.; AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
12.1323.AStephenson and Malanowski, 1987Based on data from 308. - 453. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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)222.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity213.9kcal/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
221.1Wang, Chu, et al., 1999KM 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
221.0Wang, Chu, et al., 1999KM 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 ± 2.2Gross, Rodriguez-Cruz, et al., 1995T = 300K; 3-Fluoropyridine; i-Propylamine. Reference GBs readjusted to Hunter and Lias, 1998. Cited uncertainty is half of the «DELTA»GB between the bracketing bases; MM

Ionization energy determinations

IE (eV) Method Reference Comment
8.5PEAue and Bowers, 1979LLK

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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Download spectrum in JCAMP-DX format.

Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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

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Column type Active phase Temperature (C) I Reference Comment
PackedSE-30170.993.Voelkel, 1987He, Chromaton N Super (75-100 mesh); Column length: 1. m
PackedSE-30180.1038.Oszczapowicz, Osek, et al., 1985N2, Chromosorb A AW; Column length: 3. m
PackedApiezon L100.1041.Golovnya and Zhuravleva, 1973 
PackedApiezon L130.1022.Landault and Guiochon, 1964Teflon-Haloport; Column length: 2.26 m

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedPEG-2000150.1320.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000152.1320.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000179.1318.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000180.1317.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000200.1315.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySE-541038.Woolley, Markides, et al., 198620. m/0.05 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 180. C
CapillarySE-541042.Woolley, Markides, et al., 198620. m/0.05 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 180. C
CapillarySE-541043.Woolley, Markides, et al., 198620. m/0.05 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 180. C
CapillarySE-541044.Woolley, Markides, et al., 198620. m/0.05 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 180. C
CapillarySE-541046.Woolley, Markides, et al., 198620. m/0.05 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 180. C
CapillarySE-541047.Woolley, Markides, et al., 198620. m/0.05 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 180. C
CapillarySE-541047.Woolley, Markides, et al., 198620. m/0.05 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 180. C
CapillarySE-541049.Woolley, Markides, et al., 198620. m/0.05 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 180. C
CapillarySE-541051.Woolley, Markides, et al., 198620. m/0.05 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 180. C
CapillarySE-541057.Woolley, Markides, et al., 198620. m/0.05 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 180. C
CapillarySE-541058.Woolley, Markides, et al., 198620. m/0.05 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 180. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-11032.Peng, 200015. m/0.53 mm/1. «mu»m, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Wax1316.Peng, 200015. m/0.53 mm/1. «mu»m, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryUltra-11028.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone1041.Chen and Feng, 2007Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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.

Steele, Chirico, et al., 1996
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.; Tasker, I.R., Thermodynamic properties and ideal-gas enthalpies of formation for cyclohexene, phthalan (2,5-dihydrobenzo-3,4-furan), isoxazole, octylamine, dioctylamine, trioctylamine, phenyl isocyanate, and 1,4,5,6-tetrahydropyrimidine, J. Chem. Eng. Data, 1996, 41, 1269-1284. [all data]

Steele, Chirico, et al., 1993
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Tasker, I.R., Determination of ideal gas enthalpies of formation for key compounds the 1991 project results, DIPPR Project, 1993, 871, NIPER-716. [all data]

Zvejnieks, 1954
Zvejnieks, A., Preparation and Properties of Some Pure Fatty and Rosin Amines., Sven. Kem. Tidskr., 1954, 66, 316. [all data]

Hoffman and Smyth, 1949
Hoffman, J.D.; Smyth, C.P., Molecular Freedom and Proton Transfer in Solid Long-Chain Amines., J. Am. Chem. Soc., 1949, 71, 3591. [all data]

Ralston, Hoerr, et al., 1942
Ralston, A.W.; Hoerr, C.W.; Hoffman, E.J., Studies on High Molecular Weight ALiphatic Amines and Their Salts. VII The Systems Octylamine, Dodecylamine, and Octadecylamine-Water, J. Am. Chem. Soc., 1942, 64, 1516. [all data]

Steele, Chirico, et al., 1996, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.; Tasker, I.R., Thermodynamic Properties and Ideal-Gas Enthalpies of Formation for Dioctylamine, trioctylamine, Phenyl Isocyanate, and 1,4,5,6-Tetrahydropyrimidine, J. Chem. Eng. Data, 1996, 41, 1269-84. [all data]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

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., «alpha»,«omega»-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 thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References