Propane, 2-chloro-

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

Propane, 2-chloro- = Propene + Hydrogen chloride

By formula: C3H7Cl = C3H6 + HCl

Quantity Value Units Method Reference Comment
Δr17.3 ± 0.2kcal/molEqkNoren and Sunner, 1970gas phase; ALS
Δr17.62 ± 0.15kcal/molEqkKabo and Andreevskii, 1963gas phase; At 415.5 K; ALS
Δr17.45 ± 0.50kcal/molEqkHowlett, 1955gas phase; ALS

Chlorine anion + Propane, 2-chloro- = (Chlorine anion • Propane, 2-chloro-)

By formula: Cl- + C3H7Cl = (Cl- • C3H7Cl)

Quantity Value Units Method Reference Comment
Δr14.7 ± 1.0kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Δr7.80 ± 0.20kcal/molTDAsLi, Ross, et al., 1996gas phase; B

Bromine anion + Propane, 2-chloro- = (Bromine anion • Propane, 2-chloro-)

By formula: Br- + C3H7Cl = (Br- • C3H7Cl)

Quantity Value Units Method Reference Comment
Δr12.4 ± 1.0kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Δr6.26 ± 0.20kcal/molTDAsLi, Ross, et al., 1996gas phase; B

Methyl cation + Propane, 2-chloro- = (Methyl cation • Propane, 2-chloro-)

By formula: CH3+ + C3H7Cl = (CH3+ • C3H7Cl)

Quantity Value Units Method Reference Comment
Δr77.kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; from i-C3H7+ + CH3Cl; Cox and Pilcher, 1970, Rosenstock, Buff, et al., 1982, Sen Sharma and Kebarle, 1978; M

Lithium ion (1+) + Propane, 2-chloro- = (Lithium ion (1+) • Propane, 2-chloro-)

By formula: Li+ + C3H7Cl = (Li+ • C3H7Cl)

Quantity Value Units Method Reference Comment
Δr30.kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M

n-Propyl chloride = Propane, 2-chloro-

By formula: C3H7Cl = C3H7Cl

Quantity Value Units Method Reference Comment
Δr-3.0 ± 0.2kcal/molEqkKabo and Andreevskii, 1965gas phase; Correction by Andreevskii, 1972; ALS

Hydrogen + Propane, 2-chloro- = Propane + Hydrogen chloride

By formula: H2 + C3H7Cl = C3H8 + HCl

Quantity Value Units Method Reference Comment
Δr-13.94 ± 0.17kcal/molChydDavies, Lacher, et al., 1965gas phase; ALS

Propene + Hydrogen chloride = Propane, 2-chloro-

By formula: C3H6 + HCl = C3H7Cl

Quantity Value Units Method Reference Comment
Δr-17.54kcal/molEqkKabo and Andreevskii, 1963gas phase; At 385°K; ALS

References

Go To: Top, Reaction thermochemistry data, Notes

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

Noren and Sunner, 1970
Noren, I.; Sunner, S., The enthalpy of formation of 2-chloropropane from equilibrium studies, J. Chem. Thermodyn., 1970, 2, 597-602. [all data]

Kabo and Andreevskii, 1963
Kabo, G.Ya.; Andreevskii, D.N., Equilibrium of 2-chloropropane dehydrochlorination, Neftekhimiya, 1963, 3, 764-770. [all data]

Howlett, 1955
Howlett, K.E., The use of equilibrium constants to calculate thermodynamic quantities. Part II, J. Chem. Soc., 1955, 1784-17. [all data]

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]

Sen Sharma and Kebarle, 1978
Sen Sharma, D.K.; Kebarle, P., Binding Energies and Stabilities of Chloronium Ions from Study of the Gas - Phase Equilibria: R1+ + ClR2 = R1ClR2+, J. Am. Chem. Soc., 1978, 100, 18, 5826, https://doi.org/10.1021/ja00486a039 . [all data]

Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L., Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases, J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

Kabo and Andreevskii, 1965
Kabo, G. Ya; Andreevskii, D.N., Thermodynamics of monochloropropane isomerization, Neftekhimiya, 1965, 5, 132-135. [all data]

Andreevskii, 1972
Andreevskii, D.N., Thermochemistry of organic halogeno-compounds, Russ. J. Phys. Chem. (Engl. Transl.), 1972, 46, 819-820. [all data]

Davies, Lacher, et al., 1965
Davies, J.; Lacher, J.R.; Park, J.D., Reaction heats of organic compounds. Part 4.-Heats of hydrogenation of n- and iso-Propyl bromides and chlorides, Trans. Faraday Soc., 1965, 61, 2413-2416. [all data]


Notes

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