Butane, 1-iodo-3-methyl-
- Formula: C5H11I
- Molecular weight: 198.0453
- IUPAC Standard InChIKey: BUZZUHJODKQYTF-UHFFFAOYSA-N
- CAS Registry Number: 541-28-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: iso-Amyliodide; Isopentyl iodide; 1-Iodo-3-methylbutane; 3-Methylbutyliodide; 4-Iodo-2-methylbutane; CH2ICH2CH(CH3)2; 1-Jod-3-methylbutan
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Phase change 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 419. | K | N/A | Ogata and Aoki, 1969 | Uncertainty assigned by TRC = 3. K; TRC |
Tboil | 420.8 | K | N/A | Lecat, 1943 | Uncertainty assigned by TRC = 0.25 K; TRC |
Tboil | 420.80 | K | N/A | Lecat, 1927 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 420.80 | K | N/A | Lecat, 1927, 2 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 420.80 | K | N/A | Lecat, 1926 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 42.2 | kJ/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 313. to 353. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
43.5 | 285. | A | Stephenson and Malanowski, 1987 | Based on data from 270. to 422. K. See also Stull, 1947.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
270.7 to 421.4 | 4.36628 | 1652.983 | -42.395 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Phase change 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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.18 | EST | Luo and Pacey, 1992 | LL |
9.20 | PE | Boschi and Salahub, 1974 | LLK |
9.20 | PE | Boschi and Salahub, 1972 | LLK |
9.192 | S | Boschi and Salahub, 1972 | LLK |
9.17 ± 0.01 | PE | Cocksey, Eland, et al., 1971 | LLK |
References
Go To: Top, Phase change 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.
Ogata and Aoki, 1969
Ogata, Y.; Aoki, K.,
Reaction of Alkyl Iodides with Peracetic Acid in the Presence of Aromatic Compounds,
J. Org. Chem., 1969, 34, 3974. [all data]
Lecat, 1943
Lecat, M.,
Azeotropes of Ethyl Urethane and other Azeotropes,
C. R. Hebd. Seances Acad. Sci., 1943, 217, 273. [all data]
Lecat, 1927
Lecat, M.,
New binary azeotropes: 5th list,
Recl. Trav. Chim. Pays-Bas, 1927, 46, 240-7. [all data]
Lecat, 1927, 2
Lecat, M.,
New binary azeotropes: 6th list,
Ann. Soc. Sci. Bruxelles, Ser. B, 1927, 47, 63-71. [all data]
Lecat, 1926
Lecat, M.,
New binary azeotropes second list,
Recl. Trav. Chim. Pays-Bas, 1926, 45, 620-627. [all data]
Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G.,
Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times,
Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [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 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]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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