Pentane, 1-iodo-
- Formula: C5H11I
- Molecular weight: 198.0453
- IUPAC Standard InChI: InChI=1S/C5H11I/c1-2-3-4-5-6/h2-5H2,1H3
- IUPAC Standard InChIKey: BLXSFCHWMBESKV-UHFFFAOYSA-N
- CAS Registry Number: 628-17-1
- 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: n-Amyl iodide; n-Pentyl iodide; Amyl iodide; Pentyl iodide; 1-Iodopentane; 1-Pentyl iodide; n-C5H11I; 1-Jodpentan; NSC 7901
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Condensed 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: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference |
|---|---|---|
| 46.27 | 298.15 | Shehatta, 1993 |
Gas phase ion energetics data
Go To: Top, Condensed 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:
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) | 9.20 ± 0.01 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.18 | EST | Luo and Pacey, 1992 | LL |
| 9.20 | PE | Boschi and Salahub, 1974 | LLK |
| 9.201 | S | Boschi and Salahub, 1972 | LLK |
| 9.18 ± 0.01 | PE | Cocksey, Eland, et al., 1971 | LLK |
| 9.22 | PE | Brogli and Heilbronner, 1971 | LLK |
| 9.21 | PE | Baker, Betteridge, et al., 1971 | LLK |
| 9.21 | PE | Baker, Betteridge, et al., 1971 | LLK |
| 9.19 ± 0.01 | PI | Watanabe, 1957 | RDSH |
| 9.4 | PE | Dromey and Peel, 1974 | Vertical value; LLK |
References
Go To: Top, Condensed 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.
Shehatta, 1993
Shehatta, I.,
Heat capacity at constant pressure of some halogen compounds,
Thermochim. Acta, 1993, 213, 1-10. [all data]
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]
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 1-iodoalkanes,
Mol. Phys., 1972, 24, 289. [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]
Baker, Betteridge, et al., 1971
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E.,
Application of photoelectron spectrometry to pesticide analysis. II.Photoelectron spectra of hydroxy-, and halo-alkanes and halohydrins,
Anal. Chem., 1971, 43, 375. [all data]
Watanabe, 1957
Watanabe, K.,
Ionization potentials of some molecules,
J. Chem. Phys., 1957, 26, 542. [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]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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