1-Hexanamine - The NIST WebBook

1-Hexanamine

• Formula: C6H15N
• Molecular weight: 101.1900
• IUPAC Standard InChI: InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3 Copy
• IUPAC Standard InChIKey: BMVXCPBXGZKUPN-UHFFFAOYSA-N Copy
• CAS Registry Number: 111-26-2
• Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file View 3d structure (requires JavaScript / HTML 5)
• Other names: Hexylamine; n-Hexylamine; Mono-n-hexylamine; 1-Aminohexane; 1-Hexylamine; n-C6H13NH2
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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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 by: Donald R. Burgess, Jr.

Quantity	Value	Units	Method	Reference	Comment
ΔfH°gas	-193.9	kJ/mol	N/A	Lemoult, 1907	Value computed using ΔfHliquid° value of -239 kj/mol from Lemoult, 1907 and ΔvapH° value of 45.1±0.06 kj/mol from missing citation.

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 L - 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
IE (evaluated)	8.6	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	927.5	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	893.5	kJ/mol	N/A	Hunter and Lias, 1998	HL

Proton affinity at 298K

Proton affinity (kJ/mol)	Reference	Comment
927.6	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
927.6	Wang, Chu, et al., 1999	KM results obtained from CID of complexes with other primary amines using Fenselau/Wesdemiotis correction; MM

Ionization energy determinations

IE (eV)	Method	Reference	Comment
8.6	PE	Aue and Bowers, 1979	LLK
8.63 ± 0.05	PI	Iskakov and Potapov, 1971	LLK

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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Additional Data

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Owner	SRD/NIST Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	EPA-IR VAPOR PHASE LIBRARY
State	gas

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

References

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

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]

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]

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]

Iskakov and Potapov, 1971 Iskakov, L.I.; Potapov, V.K., Dissociative photoionization of n-alkylamines, Khim. Vys. Energ., 1971, 5, 534. [all data]

Notes

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• Symbols used in this document:

  IE (evaluated)	Recommended ionization energy
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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