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sec-Butylamine

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Gas phase thermochemistry data

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-106. ± 2.kJ/molCcbEvans, Fairbrother, et al., 1959Heat of formation derived by Cox and Pilcher, 1970; ALS
Deltafgas-155.5kJ/molN/ALemoult, 1907Value computed using «DELTA»fHliquid° value of -187.0 kj/mol from Lemoult, 1907 and «DELTA»vapH° value of 31.5 kj/mol from Evans, Fairbrother, et al., 1959.; DRB

Condensed phase thermochemistry data

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid-137.5 ± 1.0kJ/molCcbEvans, Fairbrother, et al., 1959Heat of formation derived by Cox and Pilcher, 1970
Deltafliquid-187.kJ/molCcbLemoult, 1907 
Quantity Value Units Method Reference Comment
Deltacliquid-3008.6 ± 0.92kJ/molCcbEvans, Fairbrother, et al., 1959Heat of formation derived by Cox and Pilcher, 1970
Deltacliquid-2979.kJ/molCcbLemoult, 1907 

Phase change data

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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil336.KN/AAmerican Tokyo Kasei, 1988BS
Tboil336.15KN/AHolmberg, 1962Uncertainty assigned by TRC = 1.5 K; not certain that this was measured; TRC
Tboil336.15KN/ASchuerch and Huntress, 1949Uncertainty assigned by TRC = 2. K; TRC
Tboil336.15KN/ASabatier and Mailhe, 1909Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tfus168.65KN/ATimmermans and Mattaar, 1921Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Tc514.3KN/AToczylkin. L.S. and Young, 1980Uncertainty assigned by TRC = 0.51 K; TRC
Quantity Value Units Method Reference Comment
Pc50.00barN/AToczylkin. L.S. and Young, 1980Uncertainty assigned by TRC = 4.9979 bar; Visual; TRC
Quantity Value Units Method Reference Comment
Deltavap32.7 ± 0.1kJ/molCMajer, Svoboda, et al., 1979AC
Deltavap32.6 ± 0.1kJ/molCWadsö, Heikkilä, et al., 1969AC
Deltavap32.64 ± 0.06kJ/molCWadso, 1969ALS
Deltavap31. ± 1.kJ/molVEvans, Fairbrother, et al., 1959Heat of formation derived by Cox and Pilcher, 1970; ALS
Deltavap31.5kJ/molN/AEvans, Fairbrother, et al., 1959DRB

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
34.1279.AStephenson and Malanowski, 1987Based on data from 264. - 371. K. See also Dykyj, 1971.; AC
32.4315.EBMajer, Svoboda, et al., 1979Based on data from 300. - 335. K.; AC
31.6 ± 0.1313.CMajer, Svoboda, et al., 1979AC
30.5 ± 0.1328.CMajer, Svoboda, et al., 1979AC
29.4 ± 0.1343.CMajer, Svoboda, et al., 1979AC

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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C3H9Si+ + sec-Butylamine = (C3H9Si+ bullet sec-Butylamine)

By formula: C3H9Si+ + C4H11N = (C3H9Si+ bullet C4H11N)

Quantity Value Units Method Reference Comment
Deltar242.kJ/molPHPMSLi and Stone, 1990gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H5COOC2H5; Wojtyniak and Stone, 1986
Quantity Value Units Method Reference Comment
Deltar163.J/mol*KPHPMSLi and Stone, 1990gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H5COOC2H5; Wojtyniak and Stone, 1986

Gas phase ion energetics data

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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to C4H11N+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)929.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity895.7kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.5 ± 0.1PEAue, Webb, et al., 1976LLK
8.70PIWatanabe, Nakayama, et al., 1962RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H6N+9.10C2H5EIHolmes, Lossing, et al., 1988LL
C3H8N+9.12CH3EILossing, Lam, et al., 1981LLK

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C3H9Si+ + sec-Butylamine = (C3H9Si+ bullet sec-Butylamine)

By formula: C3H9Si+ + C4H11N = (C3H9Si+ bullet C4H11N)

Quantity Value Units Method Reference Comment
Deltar242.kJ/molPHPMSLi and Stone, 1990gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H5COOC2H5; Wojtyniak and Stone, 1986
Quantity Value Units Method Reference Comment
Deltar163.J/mol*KPHPMSLi and Stone, 1990gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H5COOC2H5; Wojtyniak and Stone, 1986

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, NIST Free Links, 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

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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- 928
NIST MS number 228231

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, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), NIST Free Links, 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedOV-101130.471.Osmialowski, Halkiewicz, et al., 1985Ar, Chromosorb W HP; Column length: 1. m
PackedPMS-100130.527.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPMS-100150.517.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPMS-100180.515.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedPEG-2000120.826.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000150.821.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000152.825.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000179.815.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000180.816.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101130.471.Qi, Yang, et al., 2000 

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

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.471.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax864.Peng, Yang, et al., 1991Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Evans, Fairbrother, et al., 1959
Evans, F.W.; Fairbrother, D.M.; Skinner, H.A., The heats of combustion of organic compounds of nitrogen Part 3.-Butylamines, and the cis-dimer of nitrosoisobutane, Trans. Faraday Soc., 1959, 55, 399-403. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Lemoult, 1907
Lemoult, M.P., Recherches theoriques et experimentales sur les chaleurs de combustion et de formation des composes organiques, Ann. Chim. Phys., 1907, 12, 395-432. [all data]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

Holmberg, 1962
Holmberg, K.E., Isotopic Effects in Systems Containing an Amine and Carbon Dioxide, Acta Chem. Scand., 1962, 16, 2117. [all data]

Schuerch and Huntress, 1949
Schuerch, C.; Huntress, E.H., The Schmidt Reaction II. A New Rearangement Obseved during Degradation of Triethylacetic Acid, J. Am. Chem. Soc., 1949, 71, 2238. [all data]

Sabatier and Mailhe, 1909
Sabatier, P.; Mailhe, A., New Applications of the General Method of Hydrogenation with Various Metals, Ann. Chim. Phys., 1909, 16, 70. [all data]

Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F., Freezing points of orgainic substances VI. New experimental determinations., Bull. Soc. Chim. Belg., 1921, 30, 213. [all data]

Toczylkin. L.S. and Young, 1980
Toczylkin. L.S.; Young, C.L., Gas-liquid criticl temperatures of mixtures containing electron donors. II. Amine mixtures, J. Chem. Thermodyn., 1980, 12, 365. [all data]

Majer, Svoboda, et al., 1979
Majer, Vladimír; Svoboda, Václav; Koubek, Josef; Pick, Jirí, Temperature dependence of heats of vaporization, saturated vapour pressures and cohesive energies for a group of amines, Collect. Czech. Chem. Commun., 1979, 44, 12, 3521-3528, https://doi.org/10.1135/cccc19793521 . [all data]

Wadsö, Heikkilä, et al., 1969
Wadsö, Ingemar; Heikkilä, Jussi; Beagley, B.; Aalto, Tarja; Werner, Per-Erik; Junggren, Ulf; Lamm, Bo; Samuelsson, Benny, Enthalpies of Vaporization of Organic Compounds. III. Amines., Acta Chem. Scand., 1969, 23, 2061-2064, https://doi.org/10.3891/acta.chem.scand.23-2061 . [all data]

Wadso, 1969
Wadso, I., Enthalpies of vaporization of organic compounds, Acta Chem. Scand., 1969, 23, 2061. [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]

Dykyj, 1971
Dykyj, J., Petrochemia, 1971, 11, 2, 27. [all data]

Li and Stone, 1990
Li, X.; Stone, A.J., Gas-Phase (CH3)3Si+ Affinities of Alkylamines and Proton Affinities of Trimethylsilyl Alkylamines, Int. J. Mass Spectrom. Ion Proc., 1990, 101, 2-3, 149, https://doi.org/10.1016/0168-1176(90)87008-5 . [all data]

Wojtyniak and Stone, 1986
Wojtyniak, A.C.M.; Stone, A.J., A High-Pressure Mass Spectrometric Study of the Bonding of Trimethylsilylium to Oxygen and Aromatic Bases, Can. J. Chem., 1986, 74, 59. [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]

Aue, Webb, et al., 1976
Aue, D.H.; Webb, H.M.; Bowers, M.T., Quantitative proton affinities, ionization potentials, and hydrogen affinities of alkylamines, J. Am. Chem. Soc., 1976, 98, 311. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Holmes, Lossing, et al., 1988
Holmes, J.L.; Lossing, F.P.; Maccoll, A., Heats of formation of alkyl radicals from appearance energies, J. Am. Chem. Soc., 1988, 110, 7339. [all data]

Lossing, Lam, et al., 1981
Lossing, F.P.; Lam, Y.-T.; Maccoll, A., Gas phase heats of formation of alkyl immonium ions, Can. J. Chem., 1981, 59, 2228. [all data]

Osmialowski, Halkiewicz, et al., 1985
Osmialowski, K.; Halkiewicz, J.; Radecki, A.; Kaliszan, R., Quantum chemical parameters in correlation analysis of gas-liquid chromatographic retention indices of amines, J. Chromatogr., 1985, 346, 53-60, https://doi.org/10.1016/S0021-9673(00)90493-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]

Qi, Yang, et al., 2000
Qi, Y.; Yang, J.; Xu, L., correlation analysis of the structures and gas liquid chromatographic retention indices of amines, Chin. J. Anal. Chem., 2000, 28, 2, 223-227. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References