Ethyl isocyanide
- Formula: C3H5N
- Molecular weight: 55.0785
- IUPAC Standard InChIKey: BPCWCZCOOFUXGQ-UHFFFAOYSA-N
- CAS Registry Number: 624-79-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Ethyl carbylamine; Ethane, isocyano-; Isocyanoethane; C2H5NC; Carbylamine, ethyl-; Ethylisokyanid; Ethylkarbylamin; Ethyl isonitrile
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | 99.6 | kJ/mol | Ccb | Lemoult, 1906 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2005. | kJ/mol | Ccb | Lemoult and Jungfleisch, 1909 | |
ΔcH°liquid | -2005. | kJ/mol | Ccb | Lemoult, 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 |
---|---|---|---|---|---|
ΔvapH° | 33. | kJ/mol | V | Baghal-Vayjooee, Collister, et al., 1977 | 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) | 851.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 818.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.2 ± 0.25 | EI | Chess, Lapp, et al., 1982 | LBLHLM |
11.38 | EI | Heerma and deRidder, 1970 | RDSH |
11.2 ± 0.1 | EI | Gillis and Occolowitz, 1963 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H2N+ | 14.17 | CH3 | EI | Heerma and deRidder, 1970 | RDSH |
C2H4+ | 12.83 | ? | EI | Heerma and deRidder, 1970 | RDSH |
C2H5+ | 12.94 | CN | EI | Heerma and deRidder, 1970 | RDSH |
C3H4N+ | 12.51 | H | EI | Heerma and deRidder, 1970 | RDSH |
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 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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.
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
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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