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Isoprene

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Reaction 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas75.7 ± 1.0kJ/molCmFraser and Prosen, 1955ALS
Quantity Value Units Method Reference Comment
Deltacgas-3186.6 ± 0.96kJ/molCmFraser and Prosen, 1955Corresponding «DELTA»fgas = 75.73 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
gas314.76J/mol*KN/AMesserly J.F., 1970GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
36.2850.Thermodynamics Research Center, 1997Values of S(T) and Cp(T) from other statistical mechanics calculation [ Compton D.A.C., 1977] are in close agreement with recommended ones.; GT
47.75100.
60.95150.
74.81200.
95.64273.15
102.69298.15
103.21300.
129.59400.
152.16500.
171.03600.
186.95700.
200.6800.
212.3900.
222.51000.
231.31100.
238.91200.
245.51300.
251.21400.
256.21500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Reaction 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltacliquid-3158.2 ± 1.6kJ/molCcbJessup, 1938Reanalyzed by Cox and Pilcher, 1970, Original value = -3156.9 ± 1.6 kJ/mol; Corresponding «DELTA»fliquid = 47.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid228.28J/mol*KN/AMesserly, Todd, et al., 1970DH
liquid229.2J/mol*KN/AWarfield and Petree, 1965DH
liquid229.3J/mol*KN/ABekkedahl and Wood, 1937DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
151.08298.15Messerly, Todd, et al., 1970T = 12 to 320 K.; DH
152.5298.15Warfield and Petree, 1965T = 20 to 300 K. A reexamination of 37BEK/WOO.; DH
152.6298.2Bekkedahl and Wood, 1937T = 20 to 300 K.; DH

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

C5H7- + Hydrogen cation = Isoprene

By formula: C5H7- + H+ = C5H8

Quantity Value Units Method Reference Comment
Deltar1613. ± 21.kJ/molG+TSBartmess and McIver Jr., 1979gas phase; Between H2O, MeOH. Acid: isoprene; B
Quantity Value Units Method Reference Comment
Deltar1586. ± 21.kJ/molIMRBBartmess and McIver Jr., 1979gas phase; Between H2O, MeOH. Acid: isoprene; B

3-Methyl-4-cyclohexene-1,1,2,2-tetracarbonitrile = Tetracyanoethylene + Isoprene

By formula: C11H8N4 = C6N4 + C5H8

Quantity Value Units Method Reference Comment
Deltar157. ± 3.kJ/molCmRogers, 1971solid phase; Heat of formation derived by 77PED/RYL; ALS

Tetracyanoethylene + Isoprene = 3-Methyl-4-cyclohexene-1,1,2,2-tetracarbonitrile

By formula: C6N4 + C5H8 = C11H8N4

Quantity Value Units Method Reference Comment
Deltar-157. ± 3.kJ/molCmRogers, 1971liquid phase; solvent: Dichloromethane; ALS

Silver ion (1+) + Isoprene = (Silver ion (1+) bullet Isoprene)

By formula: Ag+ + C5H8 = (Ag+ bullet C5H8)

Quantity Value Units Method Reference Comment
Deltar164. ± 19.kJ/molRAKHo, Yang, et al., 1997RCD

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.

Fraser and Prosen, 1955
Fraser, F.M.; Prosen, E.J., Heats of combustion and isomerization of six pentadienes and spiropentane, J. Res. NBS, 1955, 54, 143-148. [all data]

Messerly J.F., 1970
Messerly J.F., Chemical thermodynamic properties of the pentadienes. Third law studies, J. Chem. Eng. Data, 1970, 15, 227-232. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Compton D.A.C., 1977
Compton D.A.C., Conformations of conjugated hydrocarbons. Part 2. A spectroscopic and thermodynamic study of cis- and trans-penta-1,3-diene, J. Chem. Soc. Perkin Trans. 2, 1977, 1311-1315. [all data]

Jessup, 1938
Jessup, R.S., Heat of combustion of isoprene, J. Res. NBS, 1938, 20, 589-597. [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]

Messerly, Todd, et al., 1970
Messerly, J.F.; Todd, S.S.; Guthrie, G.B., Chemical thermodynamic properties of the pentadienes, J. Chem. Eng. Data, 1970, 15, 227-232. [all data]

Warfield and Petree, 1965
Warfield, R.W.; Petree, M.C., Thermodynamic properties of natural rubber and isoprene, Die Makromol. Chemie, 1965, 84, 1-8. [all data]

Bekkedahl and Wood, 1937
Bekkedahl, N.; Wood, L.A., Entropy of isoprene from heat-capacity measurements, J. Res. NBS, 1937, 19, 551-558. [all data]

Bartmess and McIver Jr., 1979
Bartmess, J.E.; McIver Jr., The Gas Phase Acidity Scale in Gas Phase Ion Chemistry, Gas Phase Ion Chemistry, V. 2, M.T. Bowers, Ed., Academic Press, NY, 1979, Ch. 11, Elsevier, 1979. [all data]

Rogers, 1971
Rogers, F.E., Thermochemistry of the Diels-Alder reaction. I. Enthalpy of addition of isoprene to tetracyanoethylene, J. Phys. Chem., 1971, 75, 1734-1737. [all data]

Ho, Yang, et al., 1997
Ho, Y.-P.; Yang, Y.-C.; Klippenstein, S.J.; Dunbar, R.C., Binding Energies of Ag+ and Cd+ Complexes from Analysis of Radiative Association Kinetics, J. Phys. Chem. A, 1997, 101, 18, 3338, https://doi.org/10.1021/jp9637284 . [all data]


Notes

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