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-40.89 ± 0.76kcal/molCcbSuradi, Hacking, et al., 1981ALS
Δfgas-39.41kcal/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-50.74 ± 0.60kcal/molCcbSuradi, Hacking, et al., 1981 
Δfliquid-49.27 ± 0.09kcal/molCcbLebedeva, Katin, et al., 1971 
Quantity Value Units Method Reference Comment
Δcliquid-1350.7 ± 0.53kcal/molCcbSuradi, Hacking, et al., 1981 
Δcliquid-1352.16 ± 0.10kcal/molCcbLebedeva, Katin, et al., 1971 

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
Δr48.8kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr33.7cal/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
31.1525.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-27.2 ± 0.2kcal/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-24.5 ± 0.2kcal/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
Δr20.6 ± 0.62kcal/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-260.23 ± 0.41kcal/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-24.7 ± 0.2kcal/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-23.0 ± 0.2kcal/molCmKiselev, Malkov, et al., 1989liquid phase; solvent: Dioxane; ALS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, 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]

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]


Notes

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