Pentanenitrile
- Formula: C5H9N
- Molecular weight: 83.1317
- IUPAC Standard InChIKey: RFFFKMOABOFIDF-UHFFFAOYSA-N
- CAS Registry Number: 110-59-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Valeronitrile; Butane, 1-cyano-; Butyl cyanide; 1-Cyanobutane; CH3(CH2)3CN; Pentanonitrile; n-Valeronitrile; 1-Butyl cyanide; n-Pentanenitrile
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, 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°gas | 11.1 | kJ/mol | Ccb | Konicek, Prochzka, et al., 1969 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, References, Notes
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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to C5H9N+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 802.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 771.7 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Reference | Comment |
---|---|---|
0.012620 ± 0.000087 | Hammer, Diri, et al., 2003 | B |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H3N+ | 12.26 | ? | EI | Heerma, deRidder, et al., 1969 | RDSH |
C3H4N+ | 12.12 | ? | EI | Heerma, deRidder, et al., 1969 | RDSH |
C3H5+ | 13.73 | ? | EI | Heerma, deRidder, et al., 1969 | RDSH |
C3H5N+ | 12.49 | ? | EI | Heerma, deRidder, et al., 1969 | RDSH |
C3H7+ | 12.50 | ? | EI | Heerma, deRidder, et al., 1969 | RDSH |
C4H7+ | 14.43 | HCN+H | EI | Heerma, deRidder, et al., 1969 | RDSH |
C5H8N+ | 12.47 | H | EI | Heerma, deRidder, et al., 1969 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Konicek, Prochzka, et al., 1969
Konicek, J.; Prochzka, M.; Krestanov, V.; Smisek, M.,
Thermochemie der nitrile I. Über die bildungswärmen aliphatischer nitrile,
Collect. Czech. Chem. Commun., 1969, 34, 2249-2257. [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]
Hammer, Diri, et al., 2003
Hammer, N.I.; Diri, K.; Jordan, K.D.; Desfrancois, C.; Compton, R.N.,
Dipole-bound anions of carbonyl, nitrile, and sulfoxide containing molecules,
J. Chem. Phys., 2003, 119, 7, 3650-3660, https://doi.org/10.1063/1.1590959
. [all data]
Heerma, deRidder, et al., 1969
Heerma, W.; deRidder, J.J.; Dijkstra, G.,
The electron-impact-induced fragmentation of n-alkyl cyanides,
Org. Mass Spectrom., 1969, 2, 1103. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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