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Propane, 2-chloro-

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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
Deltafgas-144. ± 5.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltacgas-2059.6 ± 0.79kJ/molCcbFletcher and Pilcher, 1971 

Condensed 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
Deltacliquid-2028.4 ± 8.4kJ/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -2023.9 kJ/mol

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, 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 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
Deltar72.4 ± 0.8kJ/molEqkNoren and Sunner, 1970gas phase; ALS
Deltar73.72 ± 0.63kJ/molEqkKabo and Andreevskii, 1963gas phase; At 415.5 K; ALS
Deltar73.0 ± 2.1kJ/molEqkHowlett, 1955gas phase; ALS

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

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

Quantity Value Units Method Reference Comment
Deltar61.5 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar32.6 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar51.9 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar26.2 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar320.kJ/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; from i-C3H7+ + CH3Cl; Cox and Pilcher, 1970, 2, Rosenstock, Buff, et al., 1982, Sen Sharma and Kebarle, 1978; M

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

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

Quantity Value Units Method Reference Comment
Deltar130.kJ/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
Deltar-12.7 ± 0.8kJ/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
Deltar-58.32 ± 0.71kJ/molChydDavies, Lacher, et al., 1965gas phase; ALS

Propene + Hydrogen chloride = Propane, 2-chloro-

By formula: C3H6 + HCl = C3H7Cl

Quantity Value Units Method Reference Comment
Deltar-73.39kJ/molEqkKabo and Andreevskii, 1963gas phase; At 385°K; ALS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

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

Fletcher and Pilcher, 1971
Fletcher, R.A.; Pilcher, G., Measurements of heats of combustion by flame calorimetry. Part 7.-Chloromethane, chloroethane, 1-chloropropane, 2-chloropropane, Trans. Faraday Soc., 1971, 67, 3191-3201. [all data]

Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H., Heats of combustion of organic chloro compounds determined by the "quartz wool" method, Acta Chem. Scand., 1953, 7, 65. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

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, 2
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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References