Propane, 1-iodo-2-methyl-
- Formula: C4H9I
- Molecular weight: 184.0187
- IUPAC Standard InChIKey: BTUGGGLMQBJCBN-UHFFFAOYSA-N
- CAS Registry Number: 513-38-2
- 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: Isobutyl iodide; 1-Iodo-2-methylpropane; iso-C4H9I; Isobutyljodid; 1-Jod-2-methylpropan; Primary isobutyl iodide
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Gas phase ion energetics data
Go To: Top, 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:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.18 ± 0.01 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.23 | EST | Luo and Pacey, 1992 | LL |
9.18 | PE | Kimura, Katsumata, et al., 1981 | LLK |
9.20 | PE | Boschi and Salahub, 1974 | LLK |
9.04 | PE | Boschi and Salahub, 1974 | LLK |
9.202 | S | Boschi and Salahub, 1972 | LLK |
9.20 | PE | Boschi and Salahub, 1972 | LLK |
9.18 ± 0.005 | PE | Cocksey, Eland, et al., 1971 | LLK |
9.08 | PE | Brogli and Heilbronner, 1971 | LLK |
9.18 ± 0.02 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.4 | PE | Dromey and Peel, 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C4H9+ | 9.180 ± 0.015 | I | PIPECO | Keister, Riley, et al., 1993 | T = 0K; LL |
References
Go To: Top, 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.
Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D.,
Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes,
Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Boschi and Salahub, 1974
Boschi, R.A.A.; Salahub, D.R.,
The high resolution photoelectron spectra of some iodoalkanes, iodocycloalkanes, iodoalkenes, and fluoroiodohydrocarbons,
Can. J. Chem., 1974, 52, 1217. [all data]
Boschi and Salahub, 1972
Boschi, R.A.; Salahub, D.R.,
The far ultra-violet spectra of some branched chain iodo-alkanes, iodo-cycloalkanes, fluoro-iodoalkanes and iodo-alkenes,
Mol. Phys., 1972, 24, 735. [all data]
Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J.,
The effect of alkyl substitution on ionisation potential,
J. Chem. Soc., 1971, (B), 790. [all data]
Brogli and Heilbronner, 1971
Brogli, F.; Heilbronner, E.,
The competition between spin orbit coupling and conjugation in alkyl halides and its repercussion on their photoelectron spectra,
Helv. Chim. Acta, 1971, 54, 1423. [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]
Dromey and Peel, 1974
Dromey, R.G.; Peel, J.B.,
Photoelectron spectroscopic correlation of the molecular orbitals of the alkanes and alkyl iodides,
J. Mol. Struct., 1974, 23, 53. [all data]
Keister, Riley, et al., 1993
Keister, J.W.; Riley, J.S.; Baer, T.,
The tert-butyl ion heat of formation and the isobutene proton affinity,
J. Am. Chem. Soc., 1993, 115, 12613. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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