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Propene

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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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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. 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

C3H5- + Hydrogen cation = Propene

By formula: C3H5- + H+ = C3H6

Quantity Value Units Method Reference Comment
Deltar1636.4 ± 1.3kJ/molG+TSEllison, Davico, et al., 1996gas phase; calculated dSacid=24.2±1.0 eu; B
Deltar1634. ± 4.2kJ/molD-EAWenthold, Polak, et al., 1996gas phase; B
Deltar1635. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1632.8 ± 2.7kJ/molG+TSMackay, Lien, et al., 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1605.8 ± 0.42kJ/molIMREEllison, Davico, et al., 1996gas phase; calculated dSacid=24.2±1.0 eu; B
Deltar1606. ± 4.6kJ/molH-TSWenthold, Polak, et al., 1996gas phase; B
Deltar1607. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1605.0 ± 2.1kJ/molIMREMackay, Lien, et al., 1978gas phase; B

Hydrogen bromide + Propene = Propane, 2-bromo-

By formula: HBr + C3H6 = C3H7Br

Quantity Value Units Method Reference Comment
Deltar-85.48kJ/molCmLacher, Kianpour, et al., 1957gas phase; ALS
Deltar-83.889kJ/molCmLacher, Lea, et al., 1950gas phase; Heat of hydrobromination at 367°K; ALS
Deltar-84.10 ± 0.59kJ/molCmLacher, Walden, et al., 1950gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -84.4 ± 1.0 kJ/mol; Heat of hydrobromination; ALS

Propene + Hydrogen = Propane

By formula: C3H6 + H2 = C3H8

Quantity Value Units Method Reference Comment
Deltar-123.4 ± 5.0kJ/molChydKistiakowsky and Nickle, 1951gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -124.9 ± 2.1 kJ/mol; ALS
Deltar-125.0 ± 0.42kJ/molChydKistiakowsky, Ruhoff, et al., 1935gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -126.00 ± 0.054 kJ/mol; At 355 °K; ALS

C3H5- + Hydrogen cation = Propene

By formula: C3H5- + H+ = C3H6

Quantity Value Units Method Reference Comment
Deltar1698. ± 8.4kJ/molBranDePuy, Gronert, et al., 1989gas phase; B
Deltar>1693.5 ± 2.5kJ/molG+TSFroelicher, Freiser, et al., 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar1665. ± 8.8kJ/molH-TSDePuy, Gronert, et al., 1989gas phase; B
Deltar>1661.0kJ/molIMRBFroelicher, Freiser, et al., 1986gas phase; B

Hydrogen iodide + 1-Propene, 3-iodo- = Propene + Iodine

By formula: HI + C3H5I = C3H6 + I2

Quantity Value Units Method Reference Comment
Deltar-33.3 ± 1.4kJ/molEqkRodgers, Golden, et al., 1966gas phase; ALS
Deltar-39.7 ± 4.2kJ/molEqkRodgers, Golden, et al., 1966gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -34.9 ± 0.96 kJ/mol; At 527 K; ALS

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

Cobalt ion (1+) + Propene = (Cobalt ion (1+) bullet Propene)

By formula: Co+ + C3H6 = (Co+ bullet C3H6)

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
180. (+7.1,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M
180. (+6.7,-0.) CIDHaynes and Armentrout, 1994gas phase; guided ion beam CID; M

C3H9Si+ + Propene = (C3H9Si+ bullet Propene)

By formula: C3H9Si+ + C3H6 = (C3H9Si+ bullet C3H6)

Quantity Value Units Method Reference Comment
Deltar128.kJ/molPHPMSLi and Stone, 1989gas phase; condensation; M
Quantity Value Units Method Reference Comment
Deltar178.J/mol*KPHPMSLi and Stone, 1989gas phase; condensation; M

Propene + Bromine = Propane, 1,2-dibromo-

By formula: C3H6 + Br2 = C3H6Br2

Quantity Value Units Method Reference Comment
Deltar-122.5 ± 0.84kJ/molCmConn, Kistiakowsky, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -123.1 ± 0.84 kJ/mol; At 355 °K; ALS

C3H5- + Hydrogen cation = Propene

By formula: C3H5- + H+ = C3H6

Quantity Value Units Method Reference Comment
Deltar>1693.5 ± 3.8kJ/molG+TSFroelicher, Freiser, et al., 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar>1661.0kJ/molIMRBFroelicher, Freiser, et al., 1986gas phase; B

Lithium ion (1+) + Propene = (Lithium ion (1+) bullet Propene)

By formula: Li+ + C3H6 = (Li+ bullet C3H6)

Quantity Value Units Method Reference Comment
Deltar96.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M

Rh+ + Propene = (Rh+ bullet Propene)

By formula: Rh+ + C3H6 = (Rh+ bullet C3H6)

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
118. CIDChen and Armetrout, 1995gas phase; «DELTA»rH>=, guided ion beam CID; M

Iron ion (1+) + Propene = (Iron ion (1+) bullet Propene)

By formula: Fe+ + C3H6 = (Fe+ bullet C3H6)

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
145. (+7.1,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(CAS Reg. No. 25012-80-0 bullet 4294967295Propene) + Propene = CAS Reg. No. 25012-80-0

By formula: (CAS Reg. No. 25012-80-0 bullet 4294967295C3H6) + C3H6 = CAS Reg. No. 25012-80-0

Quantity Value Units Method Reference Comment
Deltar45.2 ± 8.8kJ/molN/ADePuy, Gronert, et al., 1989gas phase; B

(CAS Reg. No. 59513-13-2 bullet 4294967295Propene) + Propene = CAS Reg. No. 59513-13-2

By formula: (CAS Reg. No. 59513-13-2 bullet 4294967295C3H6) + C3H6 = CAS Reg. No. 59513-13-2

Quantity Value Units Method Reference Comment
Deltar61.1 ± 8.8kJ/molN/ADePuy, Gronert, et al., 1989gas phase; B

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

Hydrogen iodide + Propene = Propane, 2-iodo-

By formula: HI + C3H6 = C3H7I

Quantity Value Units Method Reference Comment
Deltar-86.27kJ/molEqkFuruyama, Golden, et al., 1969gas phase; ALS

Propene + Sulfuric Acid = isopropyl hydrogen sulphate

By formula: C3H6 + H2O4S = isopropyl hydrogen sulphate

Quantity Value Units Method Reference Comment
Deltar-38. ± 0.8kJ/molEqkEntelis, Korovina, et al., 1960liquid phase; ALS

1,2-Diiodopropane = Propene + Iodine

By formula: C3H6I2 = C3H6 + I2

Quantity Value Units Method Reference Comment
Deltar47. ± 2.kJ/molEqkBenson and Amano, 1962gas phase; ALS

Propane, 2-bromo- = Hydrogen bromide + Propene

By formula: C3H7Br = HBr + C3H6

Quantity Value Units Method Reference Comment
Deltar81. ± 2.kJ/molEqkRozhnov and Andreevskii, 1962gas phase; ALS

Propene + 2-Propanone, 1,1,1,3,3,3-hexafluoro- = 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-

By formula: C3H6 + C3F6O = C6H6F6O

Quantity Value Units Method Reference Comment
Deltar-78.2 ± 4.2kJ/molEqkMoore, 1971gas phase; ALS

Gold ion (1+) + Propene = (Gold ion (1+) bullet Propene)

By formula: Au+ + C3H6 = (Au+ bullet C3H6)

Quantity Value Units Method Reference Comment
Deltar>310.kJ/molIMRBSchroeder, Hrusak, et al., 1995RCD

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.

Ellison, Davico, et al., 1996
Ellison, G.B.; Davico, G.E.; Bierbaum, V.M.; DePuy, C.H., Thermochemistry of theb Benzyl and Allyl Radicals and Ions, Int. J. Mass Spectrom. Ion Proc., 1996, 156, 1-2, 109-131, https://doi.org/10.1016/S0168-1176(96)04383-2 . [all data]

Wenthold, Polak, et al., 1996
Wenthold, P.G.; Polak, M.L.; Lineberger, W.C., Photoelectron Spectroscopy of the Allyl and 2-Methylallyl Anions, J. Phys. Chem., 1996, 100, 17, 6920, https://doi.org/10.1021/jp953401n . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Mackay, Lien, et al., 1978
Mackay, G.I.; Lien, M.H.; Hopkinson, A.C.; Bohme, D.K., Experimental and theoretical studies of proton removal from propene, Can. J. Chem., 1978, 56, 131. [all data]

Lacher, Kianpour, et al., 1957
Lacher, J.R.; Kianpour, A.; Park, J.D., Reaction heats of organic halogen compounds. X. Vapor phase heats of hydrobromination of cyclopropane and propylene, J. Phys. Chem., 1957, 61, 1124-1125. [all data]

Lacher, Lea, et al., 1950
Lacher, J.R.; Lea, K.R.; Walden, C.H.; Olson, G.G.; Park, J.D., Reaction heats of organic fluorine compounds. III. The vapor phase heats of hydrobromination of some simple fluoroolefins, J. Am. Chem. Soc., 1950, 72, 3231-3234. [all data]

Lacher, Walden, et al., 1950
Lacher, J.R.; Walden, C.H.; Lea, K.R.; Park, J.D., Vapor phase heats of hydrobromination of cyclopropane and propylene, J. Am. Chem. Soc., 1950, 72, 331-333. [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]

Kistiakowsky and Nickle, 1951
Kistiakowsky, G.B.; Nickle, A.G., Ethane-ethylene and propane-propylene equilibria, Faraday Discuss. Chem. Soc., 1951, 10, 175-187. [all data]

Kistiakowsky, Ruhoff, et al., 1935
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. II. Hydrogenation of some simpler olefinic hydrocarbons, J. Am. Chem. Soc., 1935, 57, 876-882. [all data]

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003 . [all data]

Froelicher, Freiser, et al., 1986
Froelicher, S.W.; Freiser, B.S.; Squires, R.R., The C3H5- isomers. Experimental and theoretical studies of the tautomeric propenyl ions and the cyclopropyl anion in the gas phase, J. Am. Chem. Soc., 1986, 108, 2853. [all data]

Rodgers, Golden, et al., 1966
Rodgers, A.S.; Golden, D.M.; Benson, S.W., The thermochemistry of the gas phase equilibrium I2 + C3H6 = C3H5I + HI, J. Am. Chem. Soc., 1966, 88, 3194-3196. [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]

Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L., Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [all data]

Haynes and Armentrout, 1994
Haynes, C.L.; Armentrout, P.B., Thermochemistry and Structures of CoC3H6+: Metallacyclic and Metal-Alkene Isomers, Organomettalics, 1994, 13, 9, 3480, https://doi.org/10.1021/om00021a022 . [all data]

Li and Stone, 1989
Li, X.; Stone, J.A., Determination of the beta silicon effect from a mass spectrometric study of the association of trimethylsilylium ion with alkenes, J. Am. Chem. Soc., 1989, 111, 15, 5586, https://doi.org/10.1021/ja00197a013 . [all data]

Conn, Kistiakowsky, et al., 1938
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A., Heats of organic reactions. VII. Addition of halogens to olefins, J. Am. Chem. Soc., 1938, 60, 2764-2771. [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]

Chen and Armetrout, 1995
Chen, Y.M.; Armetrout, P.B., Activation of C2H6, C3H8, and c-C3H6 by Gas-Phase Rh+ and the Thermochemistry of Rh-Ligand Complexes, J. Am. Chem. Soc., 1995, 117, 36, 9291, https://doi.org/10.1021/ja00141a022 . [all data]

Furuyama, Golden, et al., 1969
Furuyama, S.; Golden, D.M.; Benson, S.W., Thermochemistry of the gas phase equilibria i-C3H7I = C3H6 + HI, n-C3H7I = i-C3H7I, and C3H6 + 2HI = C3H8 + I2, J. Chem. Thermodyn., 1969, 1, 363-375. [all data]

Entelis, Korovina, et al., 1960
Entelis, S.G.; Korovina, G.V.; Chirkov, N.M., The thermodynamics of propylene absorption by the H2SO4-H20 system, Dokl. Akad. Nauk SSSR, 1960, 134, 856-859. [all data]

Benson and Amano, 1962
Benson, S.W.; Amano, A., Thermodynamics of iodine addition to ethylene, propylene, and cyclopropane, J. Chem. Phys., 1962, 36, 3464-3471. [all data]

Rozhnov and Andreevskii, 1962
Rozhnov, A.M.; Andreevskii, D.N., Equilibrium in the system propene, hydrogen bromide, bromopropane, Dokl. Akad. Nauk SSSR, 1962, 147, 388-391. [all data]

Moore, 1971
Moore, L.O., Kinetics and thermodynamic data for the hydrogen fluoride addition to vinyl fluoride, Can. J. Chem., 1971, 49, 2471-2475. [all data]

Schroeder, Hrusak, et al., 1995
Schroeder, D.; Hrusak, J.; Hertwig, R.H.; Koch, W.; Schwerdtfeger, P.; Schwarz, H., Experimental and Theoretical Studies of Gold(I) Complexes Au(L)+ (L=H2O, CO, NH3, C2H4, C3H6, C4H6, C6H6, C6F6), Organometallics, 1995, 14, 1, 312, https://doi.org/10.1021/om00001a045 . [all data]


Notes

Go To: Top, Reaction thermochemistry data, References