Isobutylamine

Formula: C₄H₁₁N
Molecular weight: 73.1368
IUPAC Standard InChI: InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
IUPAC Standard InChIKey: KDSNLYIMUZNERS-UHFFFAOYSA-N
CAS Registry Number: 78-81-9
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: 1-Propanamine, 2-methyl-; Monoisobutylamine; Valamine; 1-Amino-2-methylpropane; 2-Methylpropylamine; 3-Methyl-2-propylamine; iso-C4H9NH2; 2-Methyl-1-Aminopropane; 2-Methyl-1-propanamine; UN 1214; i-Butylamine; 2-Methylpropanamine; NSC 8028
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Gas phase ion energetics data

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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)	924.8	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	890.8	kJ/mol	N/A	Hunter and Lias, 1998	HL

Ionization energy determinations

IE (eV)	Method	Reference	Comment
8.5 ± 0.1	PE	Aue, Webb, et al., 1976	LLK
8.70	PI	Watanabe, Nakayama, et al., 1962	RDSH

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CH₄N⁺	9.52	2-C₃H₇	EI	Holmes, Lossing, et al., 1988	LL
C₂H₆N⁺	9.03	C₂H₅	EI	Lossing, Lam, et al., 1981	LLK

References

Go To: Top, Gas phase ion energetics data, Notes

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]

Notes

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Symbols used in this document:

AE Appearance energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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