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Ethyl isocyanide

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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
Deltafgas132.6kJ/molN/ALemoult, 1906Value computed using «DELTA»fHliquid° value of 99.6 kj/mol from Lemoult, 1906 and «DELTA»vapH° value of 33 kj/mol from missing citation.

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
Deltafliquid99.6kJ/molCcbLemoult, 1906 
Quantity Value Units Method Reference Comment
Deltacliquid-2005.kJ/molCcbLemoult and Jungfleisch, 1909 
Deltacliquid-2005.kJ/molCcbLemoult, 1906 

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

Quantity Value Units Method Reference Comment
Deltavap33.kJ/molVBaghal-Vayjooee, Collister, et al., 1977Heat of isomerization

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 by: 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

Ethyl isocyanide = Propanenitrile

By formula: C3H5N = C3H5N

Quantity Value Units Method Reference Comment
Deltar-90.0 ± 4.2kJ/molCmBaghal-Vayjooee, Collister, et al., 1977gas phase; Heat of isomerization

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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C3H5N+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)851.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity818.9kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
11.2 ± 0.25EIChess, Lapp, et al., 1982LBLHLM
11.38EIHeerma and deRidder, 1970RDSH
11.2 ± 0.1EIGillis and Occolowitz, 1963RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H2N+14.17CH3EIHeerma and deRidder, 1970RDSH
C2H4+12.83?EIHeerma and deRidder, 1970RDSH
C2H5+12.94CNEIHeerma and deRidder, 1970RDSH
C3H4N+12.51HEIHeerma and deRidder, 1970RDSH

Mass spectrum (electron ionization)

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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

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 R.G.GILLIS AUST SCI SERVICE, ASCOT VALE, VIC., AUSTRALIA
NIST MS number 100

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References

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), NIST Free Links, Notes

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

Lemoult, 1906
Lemoult, P., Carbylamines et nitriles., Compt. Rend., 1906, 143, 902-904. [all data]

Lemoult and Jungfleisch, 1909
Lemoult, M.P.; Jungfleisch, M.E., Thermochimie. - Comparaisons entre les nitriles et les carbylamines, Compt. Rend., 1909, 148, 1602-1604. [all data]

Baghal-Vayjooee, Collister, et al., 1977
Baghal-Vayjooee, M.H.; Collister, J.L.; Pritchard, H.O., The enthalpy of isomerisation of methyl isocyanide, Can. J. Chem., 1977, 55, 2634-2636. [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]

Chess, Lapp, et al., 1982
Chess, E.K.; Lapp, R.L.; Gross, M.L., The question of tautomerism of alkylnitrile and isonitrile radical cations, Org. Mass Spectrom., 1982, 17, 475. [all data]

Heerma and deRidder, 1970
Heerma, W.; deRidder, J.J., The electron-impact induced fragmentation of some alkyl isocyanides and alpha-branched alkyl cyanides, Org. Mass Spectrom., 1970, 3, 1439. [all data]

Gillis and Occolowitz, 1963
Gillis, R.G.; Occolowitz, J.L., Isocyanides. III. Electron impact study of aliphatic isocyanides, J. Org. Chem., 1963, 28, 2924. [all data]


Notes

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