1-Butanamine, N-butyl-

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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
Δfgas-171.1 ± 3.2kJ/molCcbSuradi, Hacking, et al., 1981ALS
Δfgas-164.9kJ/molN/ALebedeva, Katin, et al., 1971Value computed using ΔfHliquid° value of -206.1±0.4 kj/mol from Lebedeva, Katin, et al., 1971 and ΔvapH° value of 41.2 kj/mol from Suradi, Hacking, et al., 1981.; 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
Δfliquid-212.3 ± 2.5kJ/molCcbSuradi, Hacking, et al., 1981 
Δfliquid-206.1 ± 0.4kJ/molCcbLebedeva, Katin, et al., 1971 
Quantity Value Units Method Reference Comment
Δcliquid-5651.2 ± 2.2kJ/molCcbSuradi, Hacking, et al., 1981 
Δcliquid-5657.44 ± 0.42kJ/molCcbLebedeva, Katin, et al., 1971 

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
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
Tboil430. ± 20.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus211.25KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tc595.8KN/AMajer and Svoboda, 1985 
Tc607.5KN/AToczylkin. L.S. and Young, 1980Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Pc31.10barN/AToczylkin. L.S. and Young, 1980Uncertainty assigned by TRC = 0.3107 bar; Visual; TRC
Quantity Value Units Method Reference Comment
Δvap46. ± 7.kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
38.44432.8N/AMajer and Svoboda, 1985 
46.0358.AStephenson and Malanowski, 1987Based on data from 343. - 479. K.; AC
46.0 ± 0.1343.CPetros, Majer, et al., 1979AC
44.8 ± 0.1358.CPetros, Majer, et al., 1979AC
48.1291.VLebedeva, Katin, et al., 1971ALS

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) β Tc (K) Reference Comment
298. - 358.71.120.3042595.8Majer and Svoboda, 1985 

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

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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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

C3H9Sn+ + 1-Butanamine, N-butyl- = (C3H9Sn+ • 1-Butanamine, N-butyl-)

By formula: C3H9Sn+ + C8H19N = (C3H9Sn+ • C8H19N)

Quantity Value Units Method Reference Comment
Δr204.kJ/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr141.J/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
130.525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Benzene, 1-isocyanato-4-nitro- + 1-Butanamine, N-butyl- = C15H23N3O3

By formula: C7H4N2O3 + C8H19N = C15H23N3O3

Quantity Value Units Method Reference Comment
Δr-113.6 ± 0.7kJ/molCmKiselev, Malkov, et al., 1989liquid phase; solvent: Dioxane; #TDE; ALS

1-Butanamine, N-butyl- + Benzene, 1-isocyanato-4-methyl- = C16H16N2O

By formula: C8H19N + C8H7NO = C16H16N2O

Quantity Value Units Method Reference Comment
Δr-102.7 ± 0.8kJ/molCmKiselev, Malkov, et al., 1989liquid phase; solvent: Chlorobenzene; ALS

Hydrogen + 1-Butanamine, N-butylidene- = 1-Butanamine, N-butyl-

By formula: H2 + C8H17N = C8H19N

Quantity Value Units Method Reference Comment
Δr86.2 ± 2.6kJ/molChydHafelinger and Steinmann, 1977liquid phase; solvent: Acetic acid; ALS

Benzene, isocyanato- + 1-Butanamine, N-butyl- = Urea, N,N-dibutyl-N'-phenyl-

By formula: C7H5NO + C8H19N = C15H24N2O

Quantity Value Units Method Reference Comment
Δr-1088.8 ± 1.7kJ/molCmKiselev, Malkov, et al., 1989liquid phase; solvent: Dioxane; ALS

1-Butanamine, N-butyl- + Benzene, 1-isocyanato-3-methyl- = C16H26N2O

By formula: C8H19N + C8H7NO = C16H26N2O

Quantity Value Units Method Reference Comment
Δr-103.3 ± 0.8kJ/molCmKiselev, Malkov, et al., 1989liquid phase; solvent: Dioxane; ALS

1-Butanamine, N-butyl- + Benzene, 1-isocyanato-2-methyl- = C16H26N2O

By formula: C8H19N + C8H7NO = C16H26N2O

Quantity Value Units Method Reference Comment
Δr-96.1 ± 0.7kJ/molCmKiselev, Malkov, et al., 1989liquid phase; solvent: Dioxane; ALS

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference
11. MN/A

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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
Proton affinity (review)968.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity935.3kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
7.69 ± 0.03PIWatanabe and Mottl, 1957RDSH

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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: 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

C3H9Sn+ + 1-Butanamine, N-butyl- = (C3H9Sn+ • 1-Butanamine, N-butyl-)

By formula: C3H9Sn+ + C8H19N = (C3H9Sn+ • C8H19N)

Quantity Value Units Method Reference Comment
Δr204.kJ/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr141.J/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
130.525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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-8462
NIST MS number 228624

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Notes

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

Suradi, Hacking, et al., 1981
Suradi, S.; Hacking, J.M.; Pilcher, G.; Gumrukcu, I.; Lappert, M.F., Enthalpies of combustion of five sterically hindered amines, J. Chem. Thermodyn., 1981, 13, 857-861. [all data]

Lebedeva, Katin, et al., 1971
Lebedeva, N.D.; Katin, Y.A.; Akhmedova, G.Y., Enthalpies of formation of dipropylamine, di-isopropylamine, dibutylamine, and di-isobutylamine, Russ. J. Phys. Chem. (Engl. Transl.), 1971, 45, 771-772. [all data]

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [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]

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]

Petros, Majer, et al., 1979
Petros, Libor; Majer, Vladimír; Koubek, Josef; Svoboda, Václav; Pick, Jirí, Temperature dependence of heats of vaporization, saturated vapour pressures and cohesive energies of secondary amines, Collect. Czech. Chem. Commun., 1979, 44, 12, 3533-3540, https://doi.org/10.1135/cccc19793533 . [all data]

Stone and Splinter, 1984
Stone, J.A.; Splinter, D.E., A high-pressure mass spectrometric study of the binding of (CH3)3Sn+ to lewis bases in the gas phase, Int. J. Mass Spectrom. Ion Processes, 1984, 59, 169. [all data]

Kiselev, Malkov, et al., 1989
Kiselev, V.D.; Malkov, V.B.; Murzin, D.G.; Shakirov, I.M.; Konovalov, A.I., Thermochemical study of the reaction of isocyanate with amines, Dokl. Phys. Chem. (Engl. Transl.), 1989, 308, 711-713, In original 111. [all data]

Hafelinger and Steinmann, 1977
Hafelinger, G.; Steinmann, L., Heat of hydrogenation of compounds containing isolated and conjugted C=N bouble bonds, Angew. Chem. Int. Ed. Engl., 1977, 16, 47-48. [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]

Watanabe and Mottl, 1957
Watanabe, K.; Mottl, J.R., Ionization potentials of ammonia and some amines, J. Chem. Phys., 1957, 26, 1773. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References