tert-Butyl iodide

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Gas phase thermochemistry 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
Δfgas-72. ± 1.kJ/molEqkBenson and Amano, 1962 

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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil373.2KN/AWeast and Grasselli, 1989BS
Tboil372.KN/AAmerican Tokyo Kasei, 1988BS
Tboil373.2KN/AMajer and Svoboda, 1985 
Tboil372.KN/AKornblum, Smiley, et al., 1955Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tfus239.5KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Δvap35.5kJ/molN/AMajer and Svoboda, 1985 
Δvap37.0kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 313. to 353. K.; AC
Δvap35.4 ± 0.1kJ/molCWadsö, Luoma, et al., 1968AC
Δvap35.41 ± 0.06kJ/molCWadso, 1968ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
31.43373.2N/AMajer and Svoboda, 1985 
34.8279.AStephenson and Malanowski, 1987Based on data from 236. to 294. K. See also Dykyj, 1971.; AC
33.1243.VJones and Ogg, 1937At 408-464 K; ALS

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
49.8212.5MGStephenson and Malanowski, 1987Based on data from 202. to 223. K. See also Milazzo, 1944.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

tert-Butyl iodide = Hydrogen iodide + 1-Propene, 2-methyl-

By formula: C4H9I = HI + C4H8

Quantity Value Units Method Reference Comment
Δr-81. ± 2.kJ/molEqkBenson and Amano, 1962gas phase
Δr-80.1 ± 4.2kJ/molEqkJones and Ogg, 1937gas phase; At 408-464 K

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:
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)8.98 ± 0.01eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
8.98ESTLuo and Pacey, 1992LL
9.09PEKimura, Katsumata, et al., 1981LLK
9.02 ± 0.01PECocksey, Eland, et al., 1971LLK
9.02 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
9.04PEBoschi and Salahub, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H9+8.98 ± 0.01IPIMcLoughlin and Traeger, 1979LLK

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction 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.

Benson and Amano, 1962
Benson, S.W.; Amano, A., Thermodynamic properties of tertiary iodides, J. Chem. Phys., 1962, 37, 197-198. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Kornblum, Smiley, et al., 1955
Kornblum, N.; Smiley, R.A.; Ungnade, H.E.; White, A.M.; Taub, B., The reaction of silver nitrite with secondary and tertiary alkyl halides, J. Am. Chem. Soc., 1955, 77, 5528-33. [all data]

Timmermans, 1921
Timmermans, J., The Freezing Points of Organic Substances IV. New Exp. Determinations, Bull. Soc. Chim. Belg., 1921, 30, 62. [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]

Wadsö, Luoma, et al., 1968
Wadsö, Ingemar; Luoma, Sinikka; Olson, Thomas; Norin, Torbjörn, Heats of Vaporization of Organic Compounds. II. Chlorides, Bromides, and Iodides., Acta Chem. Scand., 1968, 22, 2438-2444, https://doi.org/10.3891/acta.chem.scand.22-2438 . [all data]

Wadso, 1968
Wadso, I., Heats of vaporization of organic compounds II. Chlorides, bromides, and iodides, Acta Chem. Scand., 1968, 22, 2438. [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]

Dykyj, 1971
Dykyj, J., Petrochemia, 1971, 11, 2, 27. [all data]

Jones and Ogg, 1937
Jones, J.L.; Ogg, R.A., Jr., The equilibrium (CH3)3CI = (CH3)2C = CH2 + HI, J. Am. Chem. Soc., 1937, 59, 1943-1945. [all data]

Milazzo, 1944
Milazzo, G., Gazz. Chim. Ital., 1944, 74, 49. [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]

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]

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]

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]

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]

McLoughlin and Traeger, 1979
McLoughlin, R.G.; Traeger, J.C., Heat of formation for tert-butyl cation in the gas phase, J. Am. Chem. Soc., 1979, 101, 5791. [all data]


Notes

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