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Propane, 2-chloro-2-methyl-

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Ion clustering 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Bromine anion + Propane, 2-chloro-2-methyl- = (Bromine anion bullet Propane, 2-chloro-2-methyl-)

By formula: Br- + C4H9Cl = (Br- bullet C4H9Cl)

Quantity Value Units Method Reference Comment
Deltar58.2 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar27.6 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B

Methyl cation + Propane, 2-chloro-2-methyl- = (Methyl cation bullet Propane, 2-chloro-2-methyl-)

By formula: CH3+ + C4H9Cl = (CH3+ bullet C4H9Cl)

Quantity Value Units Method Reference Comment
Deltar340.kJ/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; from t-C4H9+ + CH3Cl; Cox and Pilcher, 1970, Rosenstock, Buff, et al., 1982; M

CN- + Propane, 2-chloro-2-methyl- = (CN- bullet Propane, 2-chloro-2-methyl-)

By formula: CN- + C4H9Cl = (CN- bullet C4H9Cl)

Quantity Value Units Method Reference Comment
Deltar66.5 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar31.6 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B

Chlorine anion + Propane, 2-chloro-2-methyl- = (Chlorine anion bullet Propane, 2-chloro-2-methyl-)

By formula: Cl- + C4H9Cl = (Cl- bullet C4H9Cl)

Quantity Value Units Method Reference Comment
Deltar69.5 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar59.8 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar88.7J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9F, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar34.7 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar33. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

Sodium ion (1+) + Propane, 2-chloro-2-methyl- = (Sodium ion (1+) bullet Propane, 2-chloro-2-methyl-)

By formula: Na+ + C4H9Cl = (Na+ bullet C4H9Cl)

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
57.3298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

References

Go To: Top, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B., High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions., J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o . [all data]

Sharma, Meza de Hojer, et al., 1985
Sharma, D.M.S.; Meza de Hojer, S.; Kebarle, P., Stabilities of halonium ions from a study of gas-phase equilibria R+ + XR' = (RXR')+, J. Am. Chem. Soc., 1985, 107, 13, 3757, https://doi.org/10.1021/ja00299a002 . [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

Rosenstock, Buff, et al., 1982
Rosenstock, H.M.; Buff, R.; Ferreira, M.A.A.; Lias, S.G.; Parr, A.C.; Stockbauer, R.L.; Holmes, J.L., Fragmentation mechanism and energetics of some alkyl halide ions, J. Am. Chem. Soc., 1982, 104, 2337. [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]


Notes

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